Receptor
PDB id Resolution Class Description Source Keywords
4BNI 2.2 Å EC: 1.3.1.10 CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH NADP AND 2-(2-AMINOPHENOXY)-5-HEXYLPHENOL STAPHYLOCOCCUS AUREUS SUBSP. AUREUS SHORT-CHAIN DEHYDROGENASE/REDUCTASE SUPERFAMILY FATTY ACID BIOSYNTHESIS LIPID SYNTHESIS SAFABI OXIDOREDUCTASE
Ref.: RATIONAL OPTIMIZATION OF DRUG-TARGET RESIDENCE TIME INSIGHTS FROM INHIBITOR BINDING TO THE S. AUREUS FA ENZYME-PRODUCT COMPLEX. BIOCHEMISTRY V. 52 4217 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP B:1258;
F:1258;
H:1258;
A:1258;
G:1258;
D:1258;
C:1258;
E:1258;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
P1F C:1257;
H:1257;
F:1257;
A:1257;
D:1257;
G:1257;
B:1257;
E:1257;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
none;
none;
 Ki = 120 pM
285.381 C18 H23 N O2 CCCCC...
GLU A:1001;
C:1000;
B:1000;
B:1259;
F:1000;
A:1000;
G:1000;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
147.129 C5 H9 N O4 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4D42 2.02 Å EC: 1.3.1.10 CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH NADP AND 4-FLUORO-5-HEXYL-2-PHENOXYPHENOL STAPHYLOCOCCUS AUREUS SUBSP. AUREUS N3ORGANISM_TAXID: 158879 SHORT-CHAIN DEHYDROGENASE/REDUCTASE SUPERFAMILY FATTY ACID BIOSYNTHESIS LIPID SYNTHESIS SAFABI FABI OXIDOREDUCTASE
Ref.: AN ORDERED WATER CHANNEL IN STAPHYLOCOCCUS AUREUS F UNRAVELING THE MECHANISM OF SUBSTRATE RECOGNITION A REDUCTION. BIOCHEMISTRY V. 54 1943 2015
Members (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4BNK Ki = 1.42 nM FPL C12 H9 F O2 c1ccc(cc1)....
2 4ALI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4CV0 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
4 4D41 Ki = 0.05 nM JA1 C18 H21 N O4 CCCCCCc1cc....
5 4BNG Ki = 0.04 nM 5PP C17 H20 O2 CCCCCc1ccc....
6 4BNL Ki = 110 pM W1G C15 H14 O2 C=CCc1ccc(....
7 4D45 Ki = 0.17 nM J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
8 4BNM - TCU C19 H24 O2 CCCCCCc1cc....
9 4ALK - GLU C5 H9 N O4 C(CC(=O)O)....
10 3GR6 Kd = 18.6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 4BNH Ki = 10 pM 6PN C18 H22 O2 CCCCCCc1cc....
12 4BNI Ki = 120 pM P1F C18 H23 N O2 CCCCCCc1cc....
13 4BNN Ki = 120 pM JUS C19 H21 N O2 CCCCCCc1cc....
14 4CV1 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
15 4BNJ Ki = 380 pM MJ5 C13 H12 O2 Cc1ccc(c(c....
16 4FS3 Ki = 12.8 nM 0WE C22 H23 N3 O3 Cc1c2ccccc....
17 4D44 Ki = 0.35 nM JA3 C13 H11 F2 N O2 CCc1cc(c(c....
18 4D43 Ki = 0.75 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
19 4ALJ - GLU C5 H9 N O4 C(CC(=O)O)....
20 4BNF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 4D42 Ki = 0.01 nM W0I C18 H21 F O2 CCCCCCc1cc....
70% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4BNK Ki = 1.42 nM FPL C12 H9 F O2 c1ccc(cc1)....
2 4ALI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4CV0 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
4 4D41 Ki = 0.05 nM JA1 C18 H21 N O4 CCCCCCc1cc....
5 4BNG Ki = 0.04 nM 5PP C17 H20 O2 CCCCCc1ccc....
6 4BNL Ki = 110 pM W1G C15 H14 O2 C=CCc1ccc(....
7 4D45 Ki = 0.17 nM J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
8 4BNM - TCU C19 H24 O2 CCCCCCc1cc....
9 4ALK - GLU C5 H9 N O4 C(CC(=O)O)....
10 3GR6 Kd = 18.6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 4BNH Ki = 10 pM 6PN C18 H22 O2 CCCCCCc1cc....
12 4BNI Ki = 120 pM P1F C18 H23 N O2 CCCCCCc1cc....
13 4BNN Ki = 120 pM JUS C19 H21 N O2 CCCCCCc1cc....
14 4CV1 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
15 4BNJ Ki = 380 pM MJ5 C13 H12 O2 Cc1ccc(c(c....
16 4FS3 Ki = 12.8 nM 0WE C22 H23 N3 O3 Cc1c2ccccc....
17 4D44 Ki = 0.35 nM JA3 C13 H11 F2 N O2 CCc1cc(c(c....
18 4D43 Ki = 0.75 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
19 4ALJ - GLU C5 H9 N O4 C(CC(=O)O)....
20 4BNF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 4D42 Ki = 0.01 nM W0I C18 H21 F O2 CCCCCCc1cc....
22 3OIG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 2QIO ic50 = 3.6 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
24 3OJF ic50 = 0.06 uM IMJ C23 H24 N4 O2 Cc1c(c2ccc....
50% Homology Family (169)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3PJD ic50 = 380 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
2 1QSG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1DFG - NAD NDT n/a n/a
4 1I30 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1DFH - NAD TDB n/a n/a
6 1QG6 Kd = 22 pM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
7 4CV2 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
8 4D46 - J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
9 1C14 ic50 = 120 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
10 1LXC ic50 = 0.37 uM AYM C19 H20 N4 O Cn1c2ccccc....
11 1MFP ic50 = 0.07 uM IDN C22 H22 N4 O2 Cn1cc(c2c1....
12 4CV3 Ki = 7 nM VT4 C19 H25 N O2 CCCCCCC1=C....
13 1DFI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 1D8A - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
15 3PJE ic50 = 470 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
16 1LX6 - ZAM C22 H26 N4 O2 CC(=O)N(C)....
17 3PJF ic50 = 68500 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
18 1E3S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 2VZ0 Ki = 9.8 nM D64 C15 H14 N4 Cc1ccc(cc1....
20 3MCV Ki = 70 nM MCV C16 H18 N4 O2 S COc1ccc(c(....
21 3JQD Ki = 0.71 uM DX7 C13 H9 N5 O c1ccc(cc1)....
22 4BNK Ki = 1.42 nM FPL C12 H9 F O2 c1ccc(cc1)....
23 4ALI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
24 4CV0 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
25 4D41 Ki = 0.05 nM JA1 C18 H21 N O4 CCCCCCc1cc....
26 4BNG Ki = 0.04 nM 5PP C17 H20 O2 CCCCCc1ccc....
27 4BNL Ki = 110 pM W1G C15 H14 O2 C=CCc1ccc(....
28 4D45 Ki = 0.17 nM J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
29 4BNM - TCU C19 H24 O2 CCCCCCc1cc....
30 4ALK - GLU C5 H9 N O4 C(CC(=O)O)....
31 3GR6 Kd = 18.6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
32 4BNH Ki = 10 pM 6PN C18 H22 O2 CCCCCCc1cc....
33 4BNI Ki = 120 pM P1F C18 H23 N O2 CCCCCCc1cc....
34 4BNN Ki = 120 pM JUS C19 H21 N O2 CCCCCCc1cc....
35 4CV1 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
36 4BNJ Ki = 380 pM MJ5 C13 H12 O2 Cc1ccc(c(c....
37 4FS3 Ki = 12.8 nM 0WE C22 H23 N3 O3 Cc1c2ccccc....
38 4D44 Ki = 0.35 nM JA3 C13 H11 F2 N O2 CCc1cc(c(c....
39 4D43 Ki = 0.75 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
40 4ALJ - GLU C5 H9 N O4 C(CC(=O)O)....
41 4BNF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
42 4D42 Ki = 0.01 nM W0I C18 H21 F O2 CCCCCCc1cc....
43 1W4Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
44 5CPB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 5MTR Ki = 350 nM XT0 C21 H20 N4 O2 c1ccc(c(c1....
46 4BGI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 4OHU Ki = 0.2 nM 2TK C18 H21 Br O2 CCCCCCc1cc....
48 4OIM Ki = 2.14 nM JUS C19 H21 N O2 CCCCCCc1cc....
49 2IDZ Kd < 0.4 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
50 2AQH Kd = 14.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 4BII - PYW C27 H32 N4 O8 CC/C(=C1/C....
52 3FNG ic50 = 110 nM JPL C19 H20 Cl2 O2 c1cc(c(cc1....
53 2H9I - EAD C29 H36 N8 O15 P2 CCc1cc(ccn....
54 1ENY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 2NSD ic50 = 5.16 uM 4PI C20 H23 N O Cc1ccc(cc1....
56 2X23 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
57 5G0U ic50 = 0.297 uM 9CV C30 H31 F N6 O2 CNC(=O)c1c....
58 4TRN - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 2X22 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
60 4DQU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 2IE0 - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
62 4U0J ic50 = 10.66 uM 566 C17 H22 N2 O2 c1ccc(cc1)....
63 4COD ic50 = 34 nM KV1 C23 H27 N5 O4 CCc1cc(n(n....
64 5COQ Ki = 427.5 nM TCU C19 H24 O2 CCCCCCc1cc....
65 2AQ8 Kd = 2.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 4TZK ic50 = 0.39 uM 641 C17 H20 Cl2 N2 O2 c1c(cc(cc1....
67 4QXM ic50 = 0.05 uM 713 C20 H19 Cl F N3 O Cc1cc(n(n1....
68 4BGE - PYW C27 H32 N4 O8 CC/C(=C1/C....
69 2PR2 Ki = 130 nM DG1 C27 H33 N8 O18 P3 c1cnccc1C(....
70 2NTJ Ki = 2 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
71 5G0W ic50 = 16.3 uM 9NU C32 H40 N6 O5 C[C@H]([C@....
72 5MTP Ki = 610 nM 53K C22 H19 N3 O2 Cc1ccccc1O....
73 4TRJ ic50 = 0.89 uM 665 C17 H21 Br N2 O2 c1cc(cc(c1....
74 3FNF ic50 = 51 nM JPM C19 H14 Cl2 O2 c1ccc(cc1)....
75 4BQR ic50 = 0.2 uM IBH C16 H14 F2 N4 O2 S2 Cc1csc(n1)....
76 4BQP Kd = 13.7 nM VMY C18 H16 F2 N6 O S2 Cc1csc(n1)....
77 4OXK Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
78 5UGU Ki = 370 nM XTV C19 H16 N4 O2 c1ccc(c(c1....
79 4OYR Ki = 0.96 nM 1US C18 H21 Cl O2 CCCCCCc1cc....
80 4DTI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
81 3OF2 Kd = 4.7 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
82 3OEY Kd = 3.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
83 2AQI Kd = 32 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
84 5G0S ic50 = 0.065 uM EEH C33 H40 N4 O4 S Cc1c2ccccc....
85 2NV6 ic50 = 323 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
86 4U0K ic50 = 0.97 uM 744 C18 H23 Cl N2 O2 Cc1ccc(cc1....
87 4DRE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
88 4TRO Ki = 0.75 nM NAD ZID n/a n/a
89 2AQK Kd = 23 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
90 5G0V ic50 = 5.917 uM JDD C24 H28 N6 O2 CNC(=O)CN(....
91 5G0T ic50 = 0.057 uM S72 C29 H35 F N6 O3 Cc1c(nnn1C....
92 2NTV Ki = 11 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
93 4OXY Ki = 129 nM 1TN C18 H21 N O4 CCCCCCc1cc....
94 2IEB - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
95 3FNE ic50 = 29 nM 8PC C18 H13 Cl2 N O2 c1ccnc(c1)....
96 2B35 Ki = 0.22 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
97 4TZT ic50 = 23.12 uM 468 C18 H23 Cl N2 O2 Cc1c(cccc1....
98 4OXN Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
99 5CP8 Ki = 1570.6 nM TCU C19 H24 O2 CCCCCCc1cc....
100 3OEW Kd = 1.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
101 1D7O - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
102 1CWU - NAD TDB n/a n/a
103 1ENO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
104 4N5M - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
105 4BO0 ic50 = 0.2 uM FXE C17 H18 N4 O3 Cn1c2cccc(....
106 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
107 4BKU - 1S5 C19 H26 N2 O2 CCCCCCC1=C....
108 5I8W Ki = 55 nM 69H C19 H23 F O2 CCCCCCc1cc....
109 5I9M Ki = 55 nM 69K C14 H14 F N O2 CCc1cc(c(c....
110 5I8Z Ki = 158 nM JA1 C18 H21 N O4 CCCCCCc1cc....
111 5I7S Ki = 32 nM E9P C14 H14 O2 CCc1ccc(c(....
112 5I9L Ki = 153 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
113 2AE2 - PTO C8 H15 N O CN1[C@H]2C....
114 2WYV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
115 2WYW - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
116 1NFQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
117 3SJ7 Kd = 53.93 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
118 1X1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
119 2ZTV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
120 1ZEM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
121 3LT4 Ki = 0.1 uM FB4 C12 H9 Cl2 N O2 c1cc(c(cc1....
122 3AM4 ic50 = 97 nM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
123 2O2Y Ki = 0.4 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
124 1VRW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
125 4IGE ic50 = 0.25 uM CHJ C16 H11 Cl O4 CC1=CC(=O)....
126 2OL4 ic50 = 440 nM JPN C21 H18 Cl2 O2 c1ccc(cc1)....
127 3LT0 Ki = 0.18 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
128 3AM5 Ki = 38 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
129 4IGF ic50 = 6 uM CHV C15 H9 Cl O5 c1cc2c(cc1....
130 1ZK1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
131 4JP3 - CIT C6 H8 O7 C(C(=O)O)C....
132 2WSB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
133 5CG1 - NAD BBN n/a n/a
134 5CG2 - NAD CJ3 n/a n/a
135 2Q2V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
136 2Q2Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
137 3NUG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
138 1G0O Ki = 14 nM PYQ C11 H11 N O c1cc2c3c(c....
139 4ITU - 1HS C5 H12 O4 S2 C[C@@H](CS....
140 4RF2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
141 1GCO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
142 5T2U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
143 4NBU - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
144 4KWH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
145 4OSO - 2V4 C19 H14 O6 C[C@]1(Cc2....
146 5L4N ic50 = 57 uM 6QT C15 H12 O4 c1cc(cc(c1....
147 2EWM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
148 3AI3 - SOE C6 H12 O6 C1[C@@H]([....
149 3AI2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
150 4CR6 - MAN C6 H12 O6 C([C@@H]1[....
151 4ZA2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
152 3OIG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
153 1AHH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
154 3VDQ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
155 5B4V - DXX C4 H6 O4 CC(C(=O)O)....
156 5B4U - MLA C3 H4 O4 C(C(=O)O)C....
157 5FF9 ic50 = 5230 uM AEF C8 H11 N O c1cc(ccc1C....
158 4O1M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
159 2DTE - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
160 3OID - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
161 2PD4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
162 2PD3 - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
163 1EDO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
164 2QIO ic50 = 3.6 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
165 3OJF ic50 = 0.06 uM IMJ C23 H24 N4 O2 Cc1c(c2ccc....
166 4Q9N ic50 = 0.95 uM 0WE C22 H23 N3 O3 Cc1c2ccccc....
167 5THQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
168 3QWF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
169 3AFN - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 127
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Ligand no: 2; Ligand: P1F; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 P1F 1 1
2 2TK 0.7 0.690476
3 TCU 0.7 0.74359
4 1US 0.688525 0.690476
5 JUS 0.666667 0.731707
6 1TN 0.646154 0.648148
7 6PN 0.622951 0.763158
8 5PP 0.539683 0.736842
9 JA1 0.514286 0.641509
10 PV4 0.415385 0.631579
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4D42; Ligand: NAP; Similar sites found: 433
This union binding pocket(no: 1) in the query (biounit: 4d42.bio1) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC NBU 0.01722 0.44284 None
2 2BOS GLA GAL GLC 0.01821 0.44104 None
3 2W3O TYR ALA GLY SEP TPO ASP GLU ASN 0.04661 0.4099 None
4 3OFK SAH 0.009912 0.41863 0.925926
5 3WXB NDP 0.00000001889 0.62666 1.07527
6 1VI2 NAD 0.00982 0.41881 1.41844
7 1NPD NAD 0.01636 0.40362 1.41844
8 5F5N NAD 0.0001552 0.48471 1.77305
9 1MV8 NAD 0.004163 0.42419 1.77305
10 1MUU NAD 0.009897 0.41068 1.77305
11 5VKT NAP 0.006238 0.40945 1.77305
12 3GCZ SAM 0.02585 0.40756 1.77305
13 4J36 FAD 0.006026 0.40341 1.77305
14 5ULP KB1 0.01779 0.40201 1.86567
15 1FLJ GSH 0.03412 0.42064 1.92308
16 1YJQ NAP 0.001198 0.43052 1.9802
17 1QAN SAH 0.008076 0.42268 2.04918
18 4U00 ADP 0.04976 0.42195 2.04918
19 2VVG ADP 0.0146 0.45084 2.12766
20 1OMO NAD 0.001668 0.44716 2.12766
21 2GZ3 NAP 0.001314 0.42652 2.12766
22 1EZ4 NAD 0.005199 0.4201 2.12766
23 1M2W NAD 0.009055 0.41762 2.12766
24 3GRU AMP 0.01312 0.41041 2.12766
25 1LJ8 NAD 0.01594 0.40921 2.12766
26 3FWN ATR 0.006293 0.40061 2.12766
27 1HDO NAP 0.00001206 0.504 2.42718
28 2VDV SAM 0.02265 0.4197 2.43902
29 5MSO NAP 0.0000027 0.55923 2.48227
30 1VL0 NAI 0.000005705 0.55021 2.48227
31 2PK3 A2R 0.00002442 0.54723 2.48227
32 1GOJ ADP 0.01359 0.45339 2.48227
33 5THY SAH 0.002279 0.45105 2.48227
34 2PZM NAD 0.000119 0.44219 2.48227
35 2PZM UDP 0.000119 0.44219 2.48227
36 5THZ SAH 0.002772 0.44058 2.48227
37 1PL6 NAD 0.005614 0.43294 2.48227
38 1N7G GDR 0.00004203 0.42897 2.48227
39 2AWN ADP 0.03642 0.42715 2.48227
40 2CW6 3HG 0.02044 0.42418 2.48227
41 1PL6 572 0.002101 0.42352 2.48227
42 4XFR CIT 0.03534 0.42306 2.48227
43 4OOE NDP 0.006225 0.41678 2.48227
44 4XDY NAI 0.006837 0.41504 2.48227
45 4LS3 HIS 0.02662 0.41386 2.48227
46 1C1X NAD 0.009297 0.40937 2.48227
47 4GKV NAD 0.004023 0.40802 2.48227
48 1BW9 NAD 0.01715 0.40777 2.48227
49 1BXG NAD 0.01254 0.40384 2.48227
50 3BXO SAM 0.03151 0.4123 2.51046
51 4IVN BMX 0.03856 0.40184 2.51799
52 3QOX SAH 0.01225 0.41174 2.58216
53 3KAP FMN 0.0228 0.40468 2.72109
54 4PVD NDP 0.00002545 0.51797 2.83688
55 1RKX NAD 0.00001055 0.51743 2.83688
56 3CIF NAD 0.0006795 0.45133 2.83688
57 1DNP MHF 0.02453 0.44388 2.83688
58 5LD5 NAD 0.002621 0.44166 2.83688
59 5JE8 NAD 0.002385 0.43735 2.83688
60 1R6B ADP 0.01571 0.43151 2.83688
61 1RJD SAM 0.006346 0.43048 2.83688
62 2DPY ADP 0.02995 0.42811 2.83688
63 2VUT NAD 0.007995 0.42584 2.83688
64 3L4S NAD 0.001865 0.42554 2.83688
65 5KOK SAH 0.01044 0.42346 2.83688
66 2OBM ADP 0.04954 0.42146 2.83688
67 5FJJ MAN 0.01363 0.42116 2.83688
68 1TI7 NAP 0.01018 0.42096 2.83688
69 5E9W SAH 0.02542 0.42054 2.83688
70 3L4S 3PG 0.002192 0.42039 2.83688
71 5E8J SAH 0.02546 0.41708 2.83688
72 4RQU NAD 0.006031 0.4124 2.83688
73 3CIF G3H 0.00353 0.40803 2.83688
74 5KVS NAP 0.01342 0.40741 2.83688
75 4TXI FAD 0.00596 0.40575 2.83688
76 1D1T NAD 0.006035 0.40553 2.83688
77 1FNN ADP 0.03222 0.4029 2.83688
78 1X7D NAD 0.01062 0.40228 2.83688
79 4KRG SAH 0.04408 0.40176 2.83688
80 2BRY FAD 0.007133 0.40058 2.83688
81 3A06 NDP 0.006367 0.40042 2.83688
82 3FUU ADN 0.02337 0.40687 2.95203
83 5D4V SAH 0.01523 0.41012 2.98507
84 4OBW SAM 0.01745 0.4101 3.11284
85 4IRP UDP 0.03793 0.42388 3.18725
86 1N5D NDP 0.00000002839 0.61963 3.19149
87 4EUE NAI 0.00000006853 0.59925 3.19149
88 1RPN NDP 0.00001189 0.49734 3.19149
89 5IN4 6CK 0.0003227 0.46276 3.19149
90 5IN4 NAP 0.0003299 0.46276 3.19149
91 5IN4 GDP 0.0003472 0.46088 3.19149
92 5MPT SAH 0.003128 0.45173 3.19149
93 4RDH AMP 0.007044 0.44187 3.19149
94 2D2I NAP 0.003797 0.43448 3.19149
95 3QV1 NAD 0.003309 0.43122 3.19149
96 2VYN NAD 0.00221 0.43031 3.19149
97 3B20 NAD 0.004548 0.42807 3.19149
98 4RDI ATP 0.01233 0.4231 3.19149
99 1KYZ SAH 0.02053 0.41541 3.19149
100 1V59 NAD 0.0375 0.41161 3.19149
101 3TEG DAH 0.02002 0.40732 3.19149
102 1K3T BRZ 0.005199 0.40589 3.19149
103 5AHS FAD 0.0307 0.40393 3.19149
104 4XUC 43G 0.004573 0.4059 3.21101
105 4XUC SAM 0.004573 0.4059 3.21101
106 1WMA NDP 0.000000293 0.52984 3.26087
107 1WMA AB3 0.000000293 0.52984 3.26087
108 3TTM PUT 0.01495 0.45295 3.46821
109 5XVK SAH 0.004916 0.42947 3.52113
110 5XVQ SAH 0.008193 0.41956 3.52113
111 4TQG NDP 0.000003856 0.54344 3.5461
112 1Y1P NMN AMP PO4 0.00001361 0.54344 3.5461
113 3LU1 NAD 0.000006381 0.53023 3.5461
114 3ABI NAD 0.0001879 0.47091 3.5461
115 3V1Y NAD 0.001146 0.44794 3.5461
116 1CER NAD 0.002227 0.43572 3.5461
117 1EBF NAD 0.003489 0.43312 3.5461
118 5H81 NAP 0.004955 0.43232 3.5461
119 4FRZ ADP 0.04043 0.42284 3.5461
120 1LDN NAD 0.003299 0.4182 3.5461
121 2YYY NAP 0.005498 0.41405 3.5461
122 2EXX NAP 0.002896 0.41346 3.5461
123 1L7E NAI 0.01691 0.40546 3.5461
124 2Q46 NAP 0.000004441 0.54093 3.55731
125 1KYQ NAD 0.01899 0.41708 3.64964
126 3A3B RBF 0.04875 0.41234 3.68421
127 4K28 NAD 0.008698 0.4131 3.71747
128 4JK3 NAD 0.002705 0.43213 3.861
129 3HOK Q80 0.03811 0.40803 3.86266
130 1EJ0 SAM 0.015 0.419 3.88889
131 3WMX NAD 0.000003483 0.55454 3.90071
132 1GY8 NAD 0.000004078 0.53385 3.90071
133 4PIV NDP 0.00002575 0.50203 3.90071
134 2HJR APR 0.0004954 0.4739 3.90071
135 2XT3 ADP 0.01144 0.45727 3.90071
136 1EK6 NAI 0.00001787 0.44516 3.90071
137 2ZWA SAH 0.00558 0.42998 3.90071
138 1EK6 UPG 0.00005578 0.42506 3.90071
139 1QMG APX 0.01126 0.41076 3.90071
140 3R4S SLB 0.03696 0.40484 3.90071
141 2DBZ NAP 0.00925 0.40475 3.90071
142 4D79 ATP 0.004167 0.44576 3.98551
143 2HK9 ATR 0.0009624 0.50003 4
144 2HK9 NAP 0.006489 0.41601 4
145 2B4R NAD 0.0008499 0.44164 4.05797
146 2B4R AES 0.001168 0.43886 4.05797
147 5T9E NAP 0.004634 0.42222 4.05904
148 4ZVF GAV 0.008864 0.44451 4.06977
149 2HUI GLV 0.03813 0.40634 4.07125
150 5E5U MLI 0.01551 0.47454 4.16667
151 1E3W NAD 0.00000002214 0.62954 4.21456
152 1U7T NAD 0.00000009038 0.61589 4.21456
153 1U7T TDT 0.00000007061 0.55839 4.21456
154 1E6W NAD 0.00000002727 0.62589 4.23077
155 1BXK NAD 0.000005147 0.5383 4.25532
156 3H8V ATP 0.001754 0.46378 4.25532
157 4DMG SAM 0.02491 0.421 4.25532
158 1O6Z NAD 0.007725 0.41797 4.25532
159 2DFV NAD 0.00575 0.4157 4.25532
160 4BVA NDP 0.006212 0.40725 4.25532
161 3KB6 NAD 0.01289 0.40102 4.25532
162 5L95 AMP 0.001794 0.45949 4.30108
163 3RJ5 NAD 0.00000003961 0.57981 4.33071
164 4XZ3 COA 0.01072 0.41434 4.34783
165 1S20 TLA 0.03902 0.42845 4.41176
166 3FIU POP 0.02418 0.43208 4.41767
167 5T9F TYR 0.003681 0.40323 4.42804
168 5T9F NAP 0.005096 0.40003 4.42804
169 1P0Z FLC 0.03604 0.42562 4.58015
170 2OOR NAD 0.009397 0.41968 4.5977
171 5TSH ADP 0.02944 0.43168 4.60993
172 1GUZ NAD 0.002288 0.4297 4.60993
173 3AB4 THR 0.03955 0.41378 4.60993
174 5DX8 SFG 0.01448 0.40848 4.60993
175 5DX1 SFG 0.012 0.40706 4.60993
176 5FA5 MTA 0.03524 0.40671 4.60993
177 1KPH SAH 0.02169 0.40309 4.60993
178 5DX0 SFG 0.01526 0.40254 4.60993
179 1KPG SAH 0.02324 0.40172 4.60993
180 3A4M ADP 0.04823 0.41634 4.61538
181 5IFS ADP 0.02673 0.41599 4.64135
182 2V6G NAP 0.000003641 0.53581 4.67033
183 5FTW SAH 0.02648 0.40165 4.6875
184 1T0I FMN 0.03334 0.40218 4.71204
185 5LOG SAH 0.02781 0.40327 4.72103
186 1PZM 5GP 0.01437 0.44162 4.73934
187 1M7G AV2 0.02039 0.43328 4.73934
188 4RHS SIA SIA GAL 0.02338 0.4265 4.91803
189 3B9Q MLI 0.007306 0.47106 4.96454
190 2C29 NAP 0.00003691 0.45927 4.96454
191 2C29 DQH 0.00004548 0.45622 4.96454
192 1J78 OLA 0.01136 0.44701 4.96454
193 5FI3 NAP 0.001821 0.43107 4.96454
194 2IYL GDP 0.04946 0.4085 4.96454
195 2Y6Q FAD 0.00572 0.40645 4.96454
196 4KRI SAH 0.02871 0.40261 4.96454
197 1LSS NAD 0.001196 0.46398 5
198 1NYT NAP 0.005354 0.42221 5.16605
199 1ZH8 NAP 0.005115 0.41782 5.29412
200 2YY7 NAD 0.000001162 0.55553 5.31915
201 4ZRN NAD 0.000004441 0.5205 5.31915
202 3A4V NAD 0.000002921 0.51986 5.31915
203 3A4V PYR 0.000002921 0.51986 5.31915
204 4ZRN UPG 0.00002772 0.45084 5.31915
205 5L3S G 0.0282 0.43312 5.31915
206 4LWP SAH 0.007643 0.4331 5.31915
207 3PT9 SAH 0.008543 0.43077 5.31915
208 1WP4 NDP 0.002848 0.42844 5.31915
209 5UAV TFB 0.0008864 0.42813 5.31915
210 5UAV NDP 0.0008864 0.42813 5.31915
211 4N9Z V3L 0.01801 0.42806 5.31915
212 3COB ADP 0.03423 0.42769 5.31915
213 2CVZ NDP 0.004504 0.42274 5.31915
214 2I3G NAP 0.002634 0.42209 5.31915
215 1T5C ADP 0.04524 0.42041 5.31915
216 1F8G NAD 0.009599 0.41926 5.31915
217 1Z6T ADP 0.03796 0.40218 5.31915
218 5OFW 9TW 0.008829 0.45637 5.38117
219 3K05 SEP GLN GLU TYR NH2 0.02293 0.42657 5.5
220 1P1C SAH 0.01859 0.40362 5.52764
221 2OG2 MLI 0.001995 0.51174 5.67376
222 3ICS ADP 0.01142 0.43876 5.67376
223 3ICT ADP 0.02871 0.41774 5.67376
224 5F8F SFG 0.02737 0.41227 5.67376
225 5JJR SAH 0.02474 0.40848 5.67376
226 2VOH CIT 0.03489 0.43085 5.73248
227 5BSH PRO 0.006751 0.40362 5.77617
228 3BOS CDP 0.04966 0.4084 5.78512
229 3W5J GDP 0.01864 0.44487 5.88235
230 2X6T NAP 0.0001099 0.48033 6.02837
231 1EQ2 NAP 0.0001973 0.47006 6.02837
232 3LRE ADP 0.01316 0.45409 6.02837
233 4J1Q NDP 0.000002009 0.42478 6.02837
234 4CJX NAP 0.01193 0.40716 6.02837
235 5GS9 ARG 0.04347 0.40506 6.02837
236 2XVM SAH 0.002018 0.47337 6.03015
237 2F1K NAP 0.001299 0.44564 6.09319
238 2BD0 NAP 0.00000000856 0.63463 6.14754
239 3MJE NDP 0.000001019 0.5624 6.25
240 2PX8 MGT 0.04683 0.40649 6.3197
241 5L4L NAP 0.0001188 0.49742 6.38298
242 5L4L 7OX 0.0007218 0.42904 6.38298
243 1I9G SAM 0.02846 0.40018 6.42857
244 2W58 ADP 0.01595 0.4436 6.43564
245 3JWH SAH 0.04655 0.40663 6.45161
246 4YMH SAH 0.01315 0.41581 6.66667
247 1ORR NAD 0.000009613 0.5114 6.73759
248 4BCQ TJF 0.01263 0.44046 6.73759
249 1G55 SAH 0.0134 0.41833 6.73759
250 4LJ9 ACP 0.03486 0.41675 6.73759
251 3VYW SAM 0.01985 0.40749 6.73759
252 1I36 NAP 0.008241 0.42228 6.81818
253 4HXY NDP 0.0000005248 0.56925 7.0922
254 1ZQ9 SAM 0.001731 0.46406 7.0922
255 3WLE NAD 0.002103 0.41426 7.0922
256 3VPH OXM 0.004637 0.40358 7.0922
257 3VPH NAD 0.00715 0.40054 7.0922
258 3TWO NDP 0.005591 0.40052 7.0922
259 3O5N BR0 0.01828 0.43057 7.14286
260 3DUW SAH 0.01714 0.41327 7.17489
261 4NEC SAH 0.04388 0.40484 7.19697
262 1JG3 ADN 0.03294 0.40244 7.23404
263 2GUD BMA 0.03667 0.40228 7.37705
264 2VT3 ATP 0.00124 0.48901 7.44186
265 2Q0L NAP 0.04188 0.4029 7.44681
266 4NFD SIA 0.04319 0.40118 7.5
267 5GT9 NAP 0.00000134 0.55307 7.60456
268 5JAQ NAI 0.000004368 0.50306 7.80142
269 1YS4 NAP 0.00471 0.43332 7.80142
270 3ITJ CIT 0.02028 0.42752 7.80142
271 2UYQ SAM 0.0285 0.42729 7.80142
272 1Y8Q ATP 0.01935 0.4004 7.80142
273 3A4T SFG 0.01392 0.4119 8.0292
274 4DPL NAP 0.00109 0.44008 8.15603
275 3O7W SAM 0.009177 0.43982 8.15603
276 1DJN ADP 0.01194 0.41224 8.15603
277 1OC2 TDX 0.0002179 0.40819 8.15603
278 1OC2 NAD 0.0002179 0.40819 8.15603
279 2A92 NAI 0.006793 0.40351 8.15603
280 2CUL FAD 0.00489 0.40271 8.18966
281 4FN4 NAD 0.000000008818 0.64568 8.26772
282 4WEI GLC GAL 0.04363 0.42897 8.30325
283 1P77 ATR 0.007919 0.46058 8.45588
284 3I6I NDP 0.0005853 0.42998 8.51064
285 2XYQ SAH 0.01118 0.42514 8.51064
286 3T7S SAM 0.02267 0.41032 8.58209
287 2DKN NAI 0.00000001866 0.63839 8.62745
288 2CHG ANP 0.007831 0.43259 8.84956
289 1E5Q NDP 0.0001118 0.48348 8.86525
290 1F9V ADP 0.0219 0.4386 8.86525
291 1X87 NAD 0.008315 0.41928 8.86525
292 1NVM NAD 0.006365 0.40682 8.86525
293 2DT5 NAD 0.003457 0.42233 9.00474
294 1O5O U5P 0.03876 0.41085 9.04977
295 5L53 NAP 0.0000004084 0.61748 9.21986
296 4G86 BNT 0.002119 0.49081 9.21986
297 3LKZ SFG 0.01606 0.41461 9.21986
298 1HYH NAD 0.004271 0.41373 9.21986
299 2E0N SAH 0.01633 0.42031 9.26641
300 1PS9 NAP 0.004973 0.42092 9.57447
301 4BS0 6NT 0.0452 0.41417 9.57447
302 3JV7 NAD 0.005898 0.41043 9.57447
303 1TPY SAH 0.02383 0.40122 9.57447
304 4C4A SAH 0.008963 0.42658 9.92908
305 1JAY NAP 0.02225 0.40258 10.3774
306 1O94 ADP 0.01412 0.40643 10.6061
307 4GLL NAD 0.00001199 0.5114 10.6383
308 3TDC 0EU 0.02252 0.43071 10.9929
309 4N49 SAM 0.01886 0.40852 10.9929
310 4AZT SAM 0.02967 0.40465 10.9929
311 2C5A NAD 0.000006316 0.45876 11.3456
312 2C5A GDC 0.000006316 0.45876 11.3456
313 2FR1 NDP 0.000002384 0.53888 11.3475
314 4DCM SAM 0.01933 0.41988 11.3475
315 1NVT NAP 0.008797 0.41549 11.3475
316 3ORF NAD 0.000205 0.47267 11.5538
317 1KEW TYD 0.0001292 0.42767 11.7021
318 1KEW NAD 0.0001808 0.42049 11.7021
319 1E6E FAD 0.004118 0.40346 11.7021
320 4R1S NAP 0.000004158 0.55128 12.4113
321 3EVG SAH 0.008699 0.4304 12.4113
322 2CDU ADP 0.01611 0.4206 12.4113
323 2PV7 NAD 0.007421 0.41107 12.7517
324 1WDK NAD 0.00312 0.43829 12.766
325 3OJO NAD 0.005101 0.42876 12.766
326 1BC5 SAH 0.009794 0.41609 12.766
327 1LLU NAD 0.004296 0.40693 13.1206
328 4D3F NAP 0.0006867 0.47127 13.2258
329 3GGO ENO 0.001116 0.41353 13.4752
330 3GGO NAI 0.001116 0.41353 13.4752
331 2G5C NAD 0.004542 0.41502 13.5231
332 1GZ6 NAI 0.000002424 0.54283 13.8298
333 2CFC NAD 0.00000004914 0.62115 14
334 5L4S NAP 0.00000005342 0.57955 14.1844
335 5L4S 6KX 0.00000005342 0.57955 14.1844
336 1X14 NAD 0.004479 0.44788 14.1844
337 3CH6 NAP 0.0000001875 0.48178 14.539
338 3CH6 311 0.0000001875 0.48178 14.539
339 5U5G NAP 0.002695 0.42677 14.539
340 3H4S ADP 0.03082 0.43114 14.8148
341 2B4Q NAP 0.00000003266 0.62272 14.8551
342 4U7W NDP 0.000005754 0.54074 14.8936
343 2EJU SAH 0.02904 0.4051 14.8936
344 2A14 SAH 0.006869 0.42588 15.2091
345 2QZ4 ADP 0.04948 0.40212 15.2672
346 4NBT NAD 0.00000001213 0.64605 15.4167
347 4K26 NDP 0.00000008246 0.60121 15.5797
348 4K26 SFF 0.0000000938 0.56218 15.5797
349 3H4V NAP 0.000003115 0.50165 15.6028
350 3H4V DVP 0.000003393 0.4972 15.6028
351 1XSE NDP 0.00000004335 0.56983 16.6102
352 1FK8 NAD 0.000001236 0.57881 17.1206
353 3C3Y SAH 0.0258 0.40482 17.2996
354 1FZQ GDP 0.0481 0.40916 17.6796
355 4E5N NAD 0.008514 0.40178 17.8788
356 3VZS NAP 0.0000003811 0.52256 18.2879
357 3VZS CAA 0.000002405 0.44256 18.2879
358 4NBW NAD 0.0000001769 0.60374 19.0661
359 1L1E SAH 0.01362 0.41509 19.1489
360 3IHG FAD 0.009357 0.40231 19.1489
361 4OSP NAP 0.0000003149 0.58806 19.7719
362 5JGL SAM 0.02282 0.41314 21.2766
363 1IY8 NAD 0.00000002546 0.6215 22.4719
364 2FK8 SAM 0.0147 0.41356 23.4043
365 2Q1W NAD 0.00002388 0.49615 24.4681
366 3O26 NDP 0.000000004412 0.65782 25.1773
367 1ZBQ NAD 0.000001353 0.54852 27.8287
368 4J7U YTZ 0.00000005518 0.5581 28.8194
369 4J7U NAP 0.00000005518 0.5581 28.8194
370 4YAG NAI 0.0000004504 0.52706 30.1418
371 2JAH NDP 0.00000003589 0.61558 30.3644
372 2JAP NDP 0.00000001961 0.62601 30.7692
373 1XG5 NAP 0.00000003715 0.61498 32.6165
374 1GEG NAD 0.000000008296 0.64675 32.8125
375 1W73 NAP 0.00000009665 0.63266 33.3333
376 1W8D NAP 0.0000001012 0.63178 33.3333
377 1XKQ NDP 0.0000002559 0.57217 33.5714
378 1W6U NAP 0.00000005362 0.64387 34.7518
379 1Z6Z NAP 0.00000001572 0.63555 34.7518
380 3A28 NAD 0.0000000118 0.64057 35.2713
381 4QED NAP 0.0000004613 0.57629 35.4839
382 3SJU NDP 0.00000001005 0.63755 35.8156
383 4CQM NAP 0.00000004998 0.61526 37.9433
384 3JQA NAP 0.0000003395 0.59195 39.0071
385 3JQB NAP 0.0000005123 0.5845 39.0071
386 4CLO NAP 0.0000005308 0.58386 39.0071
387 3JQG NAP 0.0000005546 0.58307 39.0071
388 5JDI NAP 0.0000004362 0.58226 39.0071
389 5JDC NAP 0.0000005154 0.57929 39.0071
390 3BMO NAP 0.0000005521 0.57806 39.0071
391 4CLR NAP 0.0000005876 0.57695 39.0071
392 4CM4 NAP 0.0000006084 0.57633 39.0071
393 4CM8 NAP 0.0000006111 0.57625 39.0071
394 4CMI NAP 0.0000006384 0.57547 39.0071
395 5JCJ NAP 0.0000006438 0.57533 39.0071
396 3BMQ NAP 0.0000005651 0.57274 39.0071
397 4CME NAP 0.0000009831 0.56779 39.0071
398 3JQ7 NAP 0.000001349 0.56698 39.0071
399 4CM9 NAP 0.000000795 0.56675 39.0071
400 3JQ9 NAP 0.0000008515 0.56554 39.0071
401 3JQ8 NAP 0.0000008533 0.56551 39.0071
402 3JQF NAP 0.0000008866 0.56484 39.0071
403 3BMN NAP 0.000001062 0.56167 39.0071
404 5K6A NAP 0.0000009408 0.44121 39.0071
405 3AY6 NAI 0.0000002592 0.55456 39.3617
406 3AY6 BGC 0.000002895 0.47902 39.3617
407 4O0L NDP 0.000000001956 0.66582 39.6364
408 4FC7 COA 0.00000004449 0.56129 39.7112
409 4FC7 NAP 0.00000004449 0.56129 39.7112
410 2AG5 NAD 0.00000006641 0.61028 39.8374
411 1MXH NAP 0.00000228 0.51656 39.8551
412 1MXH DHF 0.000002474 0.51529 39.8551
413 5EPO NAP 0.000002143 0.54936 40.8397
414 5EPO TUD 0.008678 0.4338 40.8397
415 2WD7 NAP 0.0000005715 0.57745 41.0448
416 1YXM ADE 0.00003765 0.58763 41.1348
417 1GEE NAD 0.0000001886 0.59197 41.3793
418 1H5Q NAP 0.00000001365 0.63226 41.5094
419 1VL8 NAP 0.000000003555 0.64384 42.6966
420 1O5I NAD 0.00004034 0.53699 42.9719
421 5ITV NAI 0.00000001023 0.63725 43.1373
422 1AE1 NAP 0.00000001697 0.61764 43.2234
423 4HEE 14R 0.02913 0.40231 44
424 2ZAT NAP 0.000000003551 0.66163 44.2308
425 1Q7B NAP 0.0000003773 0.57982 44.6721
426 1PR9 NAP 0.00000001044 0.62578 45.9016
427 3D3W NAP 0.0000000142 0.62063 45.9016
428 3QWI NAP 0.00000002429 0.6169 46.6667
429 3QWI CUE 0.00000008812 0.55507 46.6667
430 1HDC CBO 0.002932 0.44945 48.0315
431 2FOI JPA 0.0000001841 0.69774 48.3333
432 1NNU NAD 0.0000000008825 0.48628 48.3333
433 1NNU TCT 0.0000000009489 0.48265 48.3333
Pocket No.: 2; Query (leader) PDB : 4D42; Ligand: W0I; Similar sites found: 433
This union binding pocket(no: 2) in the query (biounit: 4d42.bio1) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC NBU 0.01722 0.44284 None
2 2BOS GLA GAL GLC 0.01821 0.44104 None
3 2W3O TYR ALA GLY SEP TPO ASP GLU ASN 0.04661 0.4099 None
4 3OFK SAH 0.009912 0.41863 0.925926
5 3WXB NDP 0.00000001889 0.62666 1.07527
6 1VI2 NAD 0.00982 0.41881 1.41844
7 1NPD NAD 0.01636 0.40362 1.41844
8 5F5N NAD 0.0001552 0.48471 1.77305
9 1MV8 NAD 0.004163 0.42419 1.77305
10 1MUU NAD 0.009897 0.41068 1.77305
11 5VKT NAP 0.006238 0.40945 1.77305
12 3GCZ SAM 0.02585 0.40756 1.77305
13 4J36 FAD 0.006026 0.40341 1.77305
14 5ULP KB1 0.01779 0.40201 1.86567
15 1FLJ GSH 0.03412 0.42064 1.92308
16 1YJQ NAP 0.001198 0.43052 1.9802
17 1QAN SAH 0.008076 0.42268 2.04918
18 4U00 ADP 0.04976 0.42195 2.04918
19 2VVG ADP 0.0146 0.45084 2.12766
20 1OMO NAD 0.001668 0.44716 2.12766
21 2GZ3 NAP 0.001314 0.42652 2.12766
22 1EZ4 NAD 0.005199 0.4201 2.12766
23 1M2W NAD 0.009055 0.41762 2.12766
24 3GRU AMP 0.01312 0.41041 2.12766
25 1LJ8 NAD 0.01594 0.40921 2.12766
26 3FWN ATR 0.006293 0.40061 2.12766
27 1HDO NAP 0.00001206 0.504 2.42718
28 2VDV SAM 0.02265 0.4197 2.43902
29 5MSO NAP 0.0000027 0.55923 2.48227
30 1VL0 NAI 0.000005705 0.55021 2.48227
31 2PK3 A2R 0.00002442 0.54723 2.48227
32 1GOJ ADP 0.01359 0.45339 2.48227
33 5THY SAH 0.002279 0.45105 2.48227
34 2PZM NAD 0.000119 0.44219 2.48227
35 2PZM UDP 0.000119 0.44219 2.48227
36 5THZ SAH 0.002772 0.44058 2.48227
37 1PL6 NAD 0.005614 0.43294 2.48227
38 1N7G GDR 0.00004203 0.42897 2.48227
39 2AWN ADP 0.03642 0.42715 2.48227
40 2CW6 3HG 0.02044 0.42418 2.48227
41 1PL6 572 0.002101 0.42352 2.48227
42 4XFR CIT 0.03534 0.42306 2.48227
43 4OOE NDP 0.006225 0.41678 2.48227
44 4XDY NAI 0.006837 0.41504 2.48227
45 4LS3 HIS 0.02662 0.41386 2.48227
46 1C1X NAD 0.009297 0.40937 2.48227
47 4GKV NAD 0.004023 0.40802 2.48227
48 1BW9 NAD 0.01715 0.40777 2.48227
49 1BXG NAD 0.01254 0.40384 2.48227
50 3BXO SAM 0.03151 0.4123 2.51046
51 4IVN BMX 0.03856 0.40184 2.51799
52 3QOX SAH 0.01225 0.41174 2.58216
53 3KAP FMN 0.0228 0.40468 2.72109
54 4PVD NDP 0.00002545 0.51797 2.83688
55 1RKX NAD 0.00001055 0.51743 2.83688
56 3CIF NAD 0.0006795 0.45133 2.83688
57 1DNP MHF 0.02453 0.44388 2.83688
58 5LD5 NAD 0.002621 0.44166 2.83688
59 5JE8 NAD 0.002385 0.43735 2.83688
60 1R6B ADP 0.01571 0.43151 2.83688
61 1RJD SAM 0.006346 0.43048 2.83688
62 2DPY ADP 0.02995 0.42811 2.83688
63 2VUT NAD 0.007995 0.42584 2.83688
64 3L4S NAD 0.001865 0.42554 2.83688
65 5KOK SAH 0.01044 0.42346 2.83688
66 2OBM ADP 0.04954 0.42146 2.83688
67 5FJJ MAN 0.01363 0.42116 2.83688
68 1TI7 NAP 0.01018 0.42096 2.83688
69 5E9W SAH 0.02542 0.42054 2.83688
70 3L4S 3PG 0.002192 0.42039 2.83688
71 5E8J SAH 0.02546 0.41708 2.83688
72 4RQU NAD 0.006031 0.4124 2.83688
73 3CIF G3H 0.00353 0.40803 2.83688
74 5KVS NAP 0.01342 0.40741 2.83688
75 4TXI FAD 0.00596 0.40575 2.83688
76 1D1T NAD 0.006035 0.40553 2.83688
77 1FNN ADP 0.03222 0.4029 2.83688
78 1X7D NAD 0.01062 0.40228 2.83688
79 4KRG SAH 0.04408 0.40176 2.83688
80 2BRY FAD 0.007133 0.40058 2.83688
81 3A06 NDP 0.006367 0.40042 2.83688
82 3FUU ADN 0.02337 0.40687 2.95203
83 5D4V SAH 0.01523 0.41012 2.98507
84 4OBW SAM 0.01745 0.4101 3.11284
85 4IRP UDP 0.03793 0.42388 3.18725
86 1N5D NDP 0.00000002839 0.61963 3.19149
87 4EUE NAI 0.00000006853 0.59925 3.19149
88 1RPN NDP 0.00001189 0.49734 3.19149
89 5IN4 6CK 0.0003227 0.46276 3.19149
90 5IN4 NAP 0.0003299 0.46276 3.19149
91 5IN4 GDP 0.0003472 0.46088 3.19149
92 5MPT SAH 0.003128 0.45173 3.19149
93 4RDH AMP 0.007044 0.44187 3.19149
94 2D2I NAP 0.003797 0.43448 3.19149
95 3QV1 NAD 0.003309 0.43122 3.19149
96 2VYN NAD 0.00221 0.43031 3.19149
97 3B20 NAD 0.004548 0.42807 3.19149
98 4RDI ATP 0.01233 0.4231 3.19149
99 1KYZ SAH 0.02053 0.41541 3.19149
100 1V59 NAD 0.0375 0.41161 3.19149
101 3TEG DAH 0.02002 0.40732 3.19149
102 1K3T BRZ 0.005199 0.40589 3.19149
103 5AHS FAD 0.0307 0.40393 3.19149
104 4XUC 43G 0.004573 0.4059 3.21101
105 4XUC SAM 0.004573 0.4059 3.21101
106 1WMA NDP 0.000000293 0.52984 3.26087
107 1WMA AB3 0.000000293 0.52984 3.26087
108 3TTM PUT 0.01495 0.45295 3.46821
109 5XVK SAH 0.004916 0.42947 3.52113
110 5XVQ SAH 0.008193 0.41956 3.52113
111 4TQG NDP 0.000003856 0.54344 3.5461
112 1Y1P NMN AMP PO4 0.00001361 0.54344 3.5461
113 3LU1 NAD 0.000006381 0.53023 3.5461
114 3ABI NAD 0.0001879 0.47091 3.5461
115 3V1Y NAD 0.001146 0.44794 3.5461
116 1CER NAD 0.002227 0.43572 3.5461
117 1EBF NAD 0.003489 0.43312 3.5461
118 5H81 NAP 0.004955 0.43232 3.5461
119 4FRZ ADP 0.04043 0.42284 3.5461
120 1LDN NAD 0.003299 0.4182 3.5461
121 2YYY NAP 0.005498 0.41405 3.5461
122 2EXX NAP 0.002896 0.41346 3.5461
123 1L7E NAI 0.01691 0.40546 3.5461
124 2Q46 NAP 0.000004441 0.54093 3.55731
125 1KYQ NAD 0.01899 0.41708 3.64964
126 3A3B RBF 0.04875 0.41234 3.68421
127 4K28 NAD 0.008698 0.4131 3.71747
128 4JK3 NAD 0.002705 0.43213 3.861
129 3HOK Q80 0.03811 0.40803 3.86266
130 1EJ0 SAM 0.015 0.419 3.88889
131 3WMX NAD 0.000003483 0.55454 3.90071
132 1GY8 NAD 0.000004078 0.53385 3.90071
133 4PIV NDP 0.00002575 0.50203 3.90071
134 2HJR APR 0.0004954 0.4739 3.90071
135 2XT3 ADP 0.01144 0.45727 3.90071
136 1EK6 NAI 0.00001787 0.44516 3.90071
137 2ZWA SAH 0.00558 0.42998 3.90071
138 1EK6 UPG 0.00005578 0.42506 3.90071
139 1QMG APX 0.01126 0.41076 3.90071
140 3R4S SLB 0.03696 0.40484 3.90071
141 2DBZ NAP 0.00925 0.40475 3.90071
142 4D79 ATP 0.004167 0.44576 3.98551
143 2HK9 ATR 0.0009624 0.50003 4
144 2HK9 NAP 0.006489 0.41601 4
145 2B4R NAD 0.0008499 0.44164 4.05797
146 2B4R AES 0.001168 0.43886 4.05797
147 5T9E NAP 0.004634 0.42222 4.05904
148 4ZVF GAV 0.008864 0.44451 4.06977
149 2HUI GLV 0.03813 0.40634 4.07125
150 5E5U MLI 0.01551 0.47454 4.16667
151 1E3W NAD 0.00000002214 0.62954 4.21456
152 1U7T NAD 0.00000009038 0.61589 4.21456
153 1U7T TDT 0.00000007061 0.55839 4.21456
154 1E6W NAD 0.00000002727 0.62589 4.23077
155 1BXK NAD 0.000005147 0.5383 4.25532
156 3H8V ATP 0.001754 0.46378 4.25532
157 4DMG SAM 0.02491 0.421 4.25532
158 1O6Z NAD 0.007725 0.41797 4.25532
159 2DFV NAD 0.00575 0.4157 4.25532
160 4BVA NDP 0.006212 0.40725 4.25532
161 3KB6 NAD 0.01289 0.40102 4.25532
162 5L95 AMP 0.001794 0.45949 4.30108
163 3RJ5 NAD 0.00000003961 0.57981 4.33071
164 4XZ3 COA 0.01072 0.41434 4.34783
165 1S20 TLA 0.03902 0.42845 4.41176
166 3FIU POP 0.02418 0.43208 4.41767
167 5T9F TYR 0.003681 0.40323 4.42804
168 5T9F NAP 0.005096 0.40003 4.42804
169 1P0Z FLC 0.03604 0.42562 4.58015
170 2OOR NAD 0.009397 0.41968 4.5977
171 5TSH ADP 0.02944 0.43168 4.60993
172 1GUZ NAD 0.002288 0.4297 4.60993
173 3AB4 THR 0.03955 0.41378 4.60993
174 5DX8 SFG 0.01448 0.40848 4.60993
175 5DX1 SFG 0.012 0.40706 4.60993
176 5FA5 MTA 0.03524 0.40671 4.60993
177 1KPH SAH 0.02169 0.40309 4.60993
178 5DX0 SFG 0.01526 0.40254 4.60993
179 1KPG SAH 0.02324 0.40172 4.60993
180 3A4M ADP 0.04823 0.41634 4.61538
181 5IFS ADP 0.02673 0.41599 4.64135
182 2V6G NAP 0.000003641 0.53581 4.67033
183 5FTW SAH 0.02648 0.40165 4.6875
184 1T0I FMN 0.03334 0.40218 4.71204
185 5LOG SAH 0.02781 0.40327 4.72103
186 1PZM 5GP 0.01437 0.44162 4.73934
187 1M7G AV2 0.02039 0.43328 4.73934
188 4RHS SIA SIA GAL 0.02338 0.4265 4.91803
189 3B9Q MLI 0.007306 0.47106 4.96454
190 2C29 NAP 0.00003691 0.45927 4.96454
191 2C29 DQH 0.00004548 0.45622 4.96454
192 1J78 OLA 0.01136 0.44701 4.96454
193 5FI3 NAP 0.001821 0.43107 4.96454
194 2IYL GDP 0.04946 0.4085 4.96454
195 2Y6Q FAD 0.00572 0.40645 4.96454
196 4KRI SAH 0.02871 0.40261 4.96454
197 1LSS NAD 0.001196 0.46398 5
198 1NYT NAP 0.005354 0.42221 5.16605
199 1ZH8 NAP 0.005115 0.41782 5.29412
200 2YY7 NAD 0.000001162 0.55553 5.31915
201 4ZRN NAD 0.000004441 0.5205 5.31915
202 3A4V NAD 0.000002921 0.51986 5.31915
203 3A4V PYR 0.000002921 0.51986 5.31915
204 4ZRN UPG 0.00002772 0.45084 5.31915
205 5L3S G 0.0282 0.43312 5.31915
206 4LWP SAH 0.007643 0.4331 5.31915
207 3PT9 SAH 0.008543 0.43077 5.31915
208 1WP4 NDP 0.002848 0.42844 5.31915
209 5UAV TFB 0.0008864 0.42813 5.31915
210 5UAV NDP 0.0008864 0.42813 5.31915
211 4N9Z V3L 0.01801 0.42806 5.31915
212 3COB ADP 0.03423 0.42769 5.31915
213 2CVZ NDP 0.004504 0.42274 5.31915
214 2I3G NAP 0.002634 0.42209 5.31915
215 1T5C ADP 0.04524 0.42041 5.31915
216 1F8G NAD 0.009599 0.41926 5.31915
217 1Z6T ADP 0.03796 0.40218 5.31915
218 5OFW 9TW 0.008829 0.45637 5.38117
219 3K05 SEP GLN GLU TYR NH2 0.02293 0.42657 5.5
220 1P1C SAH 0.01859 0.40362 5.52764
221 2OG2 MLI 0.001995 0.51174 5.67376
222 3ICS ADP 0.01142 0.43876 5.67376
223 3ICT ADP 0.02871 0.41774 5.67376
224 5F8F SFG 0.02737 0.41227 5.67376
225 5JJR SAH 0.02474 0.40848 5.67376
226 2VOH CIT 0.03489 0.43085 5.73248
227 5BSH PRO 0.006751 0.40362 5.77617
228 3BOS CDP 0.04966 0.4084 5.78512
229 3W5J GDP 0.01864 0.44487 5.88235
230 2X6T NAP 0.0001099 0.48033 6.02837
231 1EQ2 NAP 0.0001973 0.47006 6.02837
232 3LRE ADP 0.01316 0.45409 6.02837
233 4J1Q NDP 0.000002009 0.42478 6.02837
234 4CJX NAP 0.01193 0.40716 6.02837
235 5GS9 ARG 0.04347 0.40506 6.02837
236 2XVM SAH 0.002018 0.47337 6.03015
237 2F1K NAP 0.001299 0.44564 6.09319
238 2BD0 NAP 0.00000000856 0.63463 6.14754
239 3MJE NDP 0.000001019 0.5624 6.25
240 2PX8 MGT 0.04683 0.40649 6.3197
241 5L4L NAP 0.0001188 0.49742 6.38298
242 5L4L 7OX 0.0007218 0.42904 6.38298
243 1I9G SAM 0.02846 0.40018 6.42857
244 2W58 ADP 0.01595 0.4436 6.43564
245 3JWH SAH 0.04655 0.40663 6.45161
246 4YMH SAH 0.01315 0.41581 6.66667
247 1ORR NAD 0.000009613 0.5114 6.73759
248 4BCQ TJF 0.01263 0.44046 6.73759
249 1G55 SAH 0.0134 0.41833 6.73759
250 4LJ9 ACP 0.03486 0.41675 6.73759
251 3VYW SAM 0.01985 0.40749 6.73759
252 1I36 NAP 0.008241 0.42228 6.81818
253 4HXY NDP 0.0000005248 0.56925 7.0922
254 1ZQ9 SAM 0.001731 0.46406 7.0922
255 3WLE NAD 0.002103 0.41426 7.0922
256 3VPH OXM 0.004637 0.40358 7.0922
257 3VPH NAD 0.00715 0.40054 7.0922
258 3TWO NDP 0.005591 0.40052 7.0922
259 3O5N BR0 0.01828 0.43057 7.14286
260 3DUW SAH 0.01714 0.41327 7.17489
261 4NEC SAH 0.04388 0.40484 7.19697
262 1JG3 ADN 0.03294 0.40244 7.23404
263 2GUD BMA 0.03667 0.40228 7.37705
264 2VT3 ATP 0.00124 0.48901 7.44186
265 2Q0L NAP 0.04188 0.4029 7.44681
266 4NFD SIA 0.04319 0.40118 7.5
267 5GT9 NAP 0.00000134 0.55307 7.60456
268 5JAQ NAI 0.000004368 0.50306 7.80142
269 1YS4 NAP 0.00471 0.43332 7.80142
270 3ITJ CIT 0.02028 0.42752 7.80142
271 2UYQ SAM 0.0285 0.42729 7.80142
272 1Y8Q ATP 0.01935 0.4004 7.80142
273 3A4T SFG 0.01392 0.4119 8.0292
274 4DPL NAP 0.00109 0.44008 8.15603
275 3O7W SAM 0.009177 0.43982 8.15603
276 1DJN ADP 0.01194 0.41224 8.15603
277 1OC2 TDX 0.0002179 0.40819 8.15603
278 1OC2 NAD 0.0002179 0.40819 8.15603
279 2A92 NAI 0.006793 0.40351 8.15603
280 2CUL FAD 0.00489 0.40271 8.18966
281 4FN4 NAD 0.000000008818 0.64568 8.26772
282 4WEI GLC GAL 0.04363 0.42897 8.30325
283 1P77 ATR 0.007919 0.46058 8.45588
284 3I6I NDP 0.0005853 0.42998 8.51064
285 2XYQ SAH 0.01118 0.42514 8.51064
286 3T7S SAM 0.02267 0.41032 8.58209
287 2DKN NAI 0.00000001866 0.63839 8.62745
288 2CHG ANP 0.007831 0.43259 8.84956
289 1E5Q NDP 0.0001118 0.48348 8.86525
290 1F9V ADP 0.0219 0.4386 8.86525
291 1X87 NAD 0.008315 0.41928 8.86525
292 1NVM NAD 0.006365 0.40682 8.86525
293 2DT5 NAD 0.003457 0.42233 9.00474
294 1O5O U5P 0.03876 0.41085 9.04977
295 5L53 NAP 0.0000004084 0.61748 9.21986
296 4G86 BNT 0.002119 0.49081 9.21986
297 3LKZ SFG 0.01606 0.41461 9.21986
298 1HYH NAD 0.004271 0.41373 9.21986
299 2E0N SAH 0.01633 0.42031 9.26641
300 1PS9 NAP 0.004973 0.42092 9.57447
301 4BS0 6NT 0.0452 0.41417 9.57447
302 3JV7 NAD 0.005898 0.41043 9.57447
303 1TPY SAH 0.02383 0.40122 9.57447
304 4C4A SAH 0.008963 0.42658 9.92908
305 1JAY NAP 0.02225 0.40258 10.3774
306 1O94 ADP 0.01412 0.40643 10.6061
307 4GLL NAD 0.00001199 0.5114 10.6383
308 3TDC 0EU 0.02252 0.43071 10.9929
309 4N49 SAM 0.01886 0.40852 10.9929
310 4AZT SAM 0.02967 0.40465 10.9929
311 2C5A NAD 0.000006316 0.45876 11.3456
312 2C5A GDC 0.000006316 0.45876 11.3456
313 2FR1 NDP 0.000002384 0.53888 11.3475
314 4DCM SAM 0.01933 0.41988 11.3475
315 1NVT NAP 0.008797 0.41549 11.3475
316 3ORF NAD 0.000205 0.47267 11.5538
317 1KEW TYD 0.0001292 0.42767 11.7021
318 1KEW NAD 0.0001808 0.42049 11.7021
319 1E6E FAD 0.004118 0.40346 11.7021
320 4R1S NAP 0.000004158 0.55128 12.4113
321 3EVG SAH 0.008699 0.4304 12.4113
322 2CDU ADP 0.01611 0.4206 12.4113
323 2PV7 NAD 0.007421 0.41107 12.7517
324 1WDK NAD 0.00312 0.43829 12.766
325 3OJO NAD 0.005101 0.42876 12.766
326 1BC5 SAH 0.009794 0.41609 12.766
327 1LLU NAD 0.004296 0.40693 13.1206
328 4D3F NAP 0.0006867 0.47127 13.2258
329 3GGO ENO 0.001116 0.41353 13.4752
330 3GGO NAI 0.001116 0.41353 13.4752
331 2G5C NAD 0.004542 0.41502 13.5231
332 1GZ6 NAI 0.000002424 0.54283 13.8298
333 2CFC NAD 0.00000004914 0.62115 14
334 5L4S NAP 0.00000005342 0.57955 14.1844
335 5L4S 6KX 0.00000005342 0.57955 14.1844
336 1X14 NAD 0.004479 0.44788 14.1844
337 3CH6 NAP 0.0000001875 0.48178 14.539
338 3CH6 311 0.0000001875 0.48178 14.539
339 5U5G NAP 0.002695 0.42677 14.539
340 3H4S ADP 0.03082 0.43114 14.8148
341 2B4Q NAP 0.00000003266 0.62272 14.8551
342 4U7W NDP 0.000005754 0.54074 14.8936
343 2EJU SAH 0.02904 0.4051 14.8936
344 2A14 SAH 0.006869 0.42588 15.2091
345 2QZ4 ADP 0.04948 0.40212 15.2672
346 4NBT NAD 0.00000001213 0.64605 15.4167
347 4K26 NDP 0.00000008246 0.60121 15.5797
348 4K26 SFF 0.0000000938 0.56218 15.5797
349 3H4V NAP 0.000003115 0.50165 15.6028
350 3H4V DVP 0.000003393 0.4972 15.6028
351 1XSE NDP 0.00000004335 0.56983 16.6102
352 1FK8 NAD 0.000001236 0.57881 17.1206
353 3C3Y SAH 0.0258 0.40482 17.2996
354 1FZQ GDP 0.0481 0.40916 17.6796
355 4E5N NAD 0.008514 0.40178 17.8788
356 3VZS NAP 0.0000003811 0.52256 18.2879
357 3VZS CAA 0.000002405 0.44256 18.2879
358 4NBW NAD 0.0000001769 0.60374 19.0661
359 1L1E SAH 0.01362 0.41509 19.1489
360 3IHG FAD 0.009357 0.40231 19.1489
361 4OSP NAP 0.0000003149 0.58806 19.7719
362 5JGL SAM 0.02282 0.41314 21.2766
363 1IY8 NAD 0.00000002546 0.6215 22.4719
364 2FK8 SAM 0.0147 0.41356 23.4043
365 2Q1W NAD 0.00002388 0.49615 24.4681
366 3O26 NDP 0.000000004412 0.65782 25.1773
367 1ZBQ NAD 0.000001353 0.54852 27.8287
368 4J7U YTZ 0.00000005518 0.5581 28.8194
369 4J7U NAP 0.00000005518 0.5581 28.8194
370 4YAG NAI 0.0000004504 0.52706 30.1418
371 2JAH NDP 0.00000003589 0.61558 30.3644
372 2JAP NDP 0.00000001961 0.62601 30.7692
373 1XG5 NAP 0.00000003715 0.61498 32.6165
374 1GEG NAD 0.000000008296 0.64675 32.8125
375 1W73 NAP 0.00000009665 0.63266 33.3333
376 1W8D NAP 0.0000001012 0.63178 33.3333
377 1XKQ NDP 0.0000002559 0.57217 33.5714
378 1W6U NAP 0.00000005362 0.64387 34.7518
379 1Z6Z NAP 0.00000001572 0.63555 34.7518
380 3A28 NAD 0.0000000118 0.64057 35.2713
381 4QED NAP 0.0000004613 0.57629 35.4839
382 3SJU NDP 0.00000001005 0.63755 35.8156
383 4CQM NAP 0.00000004998 0.61526 37.9433
384 3JQA