Receptor
PDB id Resolution Class Description Source Keywords
3SJ7 2.5 Å EC: 1.1.1.100 STRUCTURE OF BETA-KETOACETYL-COA REDUCTASE (FABG) FROM STAPH AUREUS COMPLEX WITH NADPH STAPHYLOCOCCUS AUREUS SUBSP. AUREUS KETOREDUCTASE ROSSMANN FOLD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE AND FLUORESCENCE STUDIES REVEAL T OF HELICAL DIMERIC INTERFACE OF STAPHYLOCOCCAL FABG POSITIVE COOPERATIVITY FOR NADPH. PROTEINS V. 80 1250 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP A:245;
B:245;
Valid;
Valid;
none;
none;
Kd = 53.93 uM
745.421 C21 H30 N7 O17 P3 c1nc(...
PG4 A:246;
A:247;
B:246;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3SJ7 2.5 Å EC: 1.1.1.100 STRUCTURE OF BETA-KETOACETYL-COA REDUCTASE (FABG) FROM STAPH AUREUS COMPLEX WITH NADPH STAPHYLOCOCCUS AUREUS SUBSP. AUREUS KETOREDUCTASE ROSSMANN FOLD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE AND FLUORESCENCE STUDIES REVEAL T OF HELICAL DIMERIC INTERFACE OF STAPHYLOCOCCAL FABG POSITIVE COOPERATIVITY FOR NADPH. PROTEINS V. 80 1250 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 3SJ7 Kd = 53.93 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 4BNT ic50 = 137.69 uM 36E C8 H5 F3 N2 c1ccc2c(c1....
4 4BNY ic50 = 0.08 uM 36I C16 H15 N3 O S c1ccc(cc1)....
5 4BNV ic50 = 0.03 uM Q7U C15 H13 Cl N4 O Cn1c2ccccc....
6 4BO1 ic50 = 0.05 uM NKH C18 H15 Cl N2 O3 COc1cc(c(c....
7 4BO0 ic50 = 0.2 uM FXE C17 H18 N4 O3 Cn1c2cccc(....
8 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
9 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
10 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
11 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
12 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
13 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
14 3SJ7 Kd = 53.93 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
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: NDP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 DG1 0.68 1
8 1DG 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3SJ7; Ligand: NDP; Similar sites found: 568
This union binding pocket(no: 1) in the query (biounit: 3sj7.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BTN I3P 0.001846 0.51166 None
2 1LNX URI 0.001248 0.45448 None
3 1QD0 RR6 0.0008579 0.44439 None
4 3GFB NAD 0.0004814 0.43673 None
5 1ECM TSA 0.0025 0.4359 None
6 2QLX RM4 0.02267 0.41426 None
7 4DYO SD4 0.01164 0.40772 None
8 4NAT ADP 0.006046 0.40752 None
9 1N9L FMN 0.003237 0.40521 None
10 2DFV NAD 0.0003068 0.4376 0.793651
11 3A27 SAM 0.004867 0.42157 0.793651
12 3FPZ AHZ 0.004443 0.41098 0.793651
13 3Q3C NAD 0.000319 0.43285 1.00334
14 2YY7 NAD 0.00000006144 0.58628 1.19048
15 1O9U ADZ 0.00124 0.49225 1.19048
16 3I8P 840 0.004668 0.40696 1.19048
17 2PV7 NAD 0.0002396 0.44846 1.5873
18 3QV9 QV7 0.002357 0.44839 1.5873
19 3G2O SAM 0.002785 0.43249 1.5873
20 2G5C NAD 0.0007538 0.42765 1.5873
21 2J7T 274 0.0005132 0.40063 1.5873
22 3F81 STT 0.001017 0.49672 1.63934
23 1QAN SAH 0.006328 0.40688 1.63934
24 1S8F GDP 0.001256 0.43296 1.69492
25 2YCD GTB 0.0002767 0.46388 1.73913
26 4KCT FDP 0.0002001 0.46946 1.98413
27 4KCT PYR 0.001581 0.44427 1.98413
28 1PEA ACM 0.02653 0.41661 1.98413
29 2V3A FAD 0.002865 0.41516 1.98413
30 1G55 SAH 0.009634 0.40503 1.98413
31 1BXK NAD 0.00000001359 0.60676 2.25352
32 1RKX NAD 0.000000004369 0.60742 2.38095
33 2EB5 OXL 0.000585 0.48286 2.38095
34 2QV7 ADP 0.0008223 0.43526 2.38095
35 3H8V ATP 0.002563 0.43412 2.38095
36 1KYQ NAD 0.003158 0.43381 2.38095
37 1NYT NAP 0.001059 0.42965 2.38095
38 2FZW NAD 0.002134 0.42543 2.38095
39 2O4C NAD 0.0009607 0.42505 2.38095
40 2UYQ SAM 0.01433 0.42469 2.38095
41 3OA2 NAD 0.0008941 0.42333 2.38095
42 1PZG A3D 0.0001467 0.41835 2.38095
43 4DCM SAM 0.008809 0.41682 2.38095
44 2NAD NAD 0.002207 0.41621 2.38095
45 4N02 FNR 0.001352 0.41289 2.38095
46 1U5R ATP 0.003433 0.41198 2.38095
47 1I8T FAD 0.004162 0.40978 2.38095
48 1F1V DHY 0.0125 0.4064 2.38095
49 1ZMD NAI 0.004255 0.40539 2.38095
50 1YJQ NAP 0.001204 0.40131 2.38095
51 3RF4 FUN 0.01244 0.41103 2.58621
52 1Y9Q MED 0.00984 0.42592 2.60417
53 2Y7P SAL 0.00188 0.44675 2.75229
54 2Q1S NAI 0.0000009251 0.56089 2.77778
55 1LTH NAD 0.00001957 0.5037 2.77778
56 1V6A TRE 0.0009156 0.49211 2.77778
57 1ZGA SAH 0.0006145 0.47607 2.77778
58 1EZ4 NAD 0.0001446 0.46057 2.77778
59 1Y42 TYR 0.002186 0.4439 2.77778
60 2EV9 NAP 0.0009999 0.42576 2.77778
61 2QZZ NAP 0.001762 0.4224 2.77778
62 2QZZ EMF 0.001882 0.4224 2.77778
63 4GKV NAD 0.0002407 0.42181 2.77778
64 1YKJ FAD 0.005937 0.42073 2.77778
65 1OMO NAD 0.002233 0.41967 2.77778
66 1DRV A3D 0.003304 0.41887 2.77778
67 2PT9 2MH 0.002791 0.41103 2.77778
68 1E5Q NDP 0.002069 0.40945 2.77778
69 3C1O NAP 0.001094 0.40915 2.77778
70 2VVM FAD 0.004642 0.40891 2.77778
71 1XDS SAM 0.01556 0.40862 2.77778
72 2ZO9 MLI 0.009083 0.40575 2.77778
73 1XVA SAM 0.002646 0.40466 2.77778
74 1QZZ SAM 0.01971 0.40365 2.77778
75 3BRE C2E 0.03133 0.40238 2.77778
76 1H65 GDP 0.002555 0.40167 2.77778
77 1QDS PGA 0.008512 0.40901 2.78884
78 2VDV SAM 0.00352 0.4397 2.84553
79 1C1L GAL BGC 0.006867 0.43936 2.91971
80 1XIU REA 0.004011 0.40557 3.04348
81 3A2Y TS5 0.00008932 0.4659 3.04569
82 1QO0 BMD 0.01041 0.42477 3.06122
83 4K30 NLG 0.01207 0.40278 3.125
84 4GLL NAD 0.000000003826 0.63497 3.1746
85 3LU1 NAD 0.000000001862 0.62936 3.1746
86 1R6D NAD 0.00000005896 0.62194 3.1746
87 1R6D DAU 0.0000001884 0.59982 3.1746
88 3OND ADN 0.000008469 0.47845 3.1746
89 1UDB NAD 0.00000001442 0.47683 3.1746
90 1O6Z NAD 0.0001956 0.46288 3.1746
91 2I3G NAP 0.00005835 0.4577 3.1746
92 1ZQ9 SAM 0.002578 0.43401 3.1746
93 2B4R NAD 0.000301 0.43196 3.1746
94 4MP8 MLI 0.0001107 0.43164 3.1746
95 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.000265 0.42394 3.1746
96 3NFZ 3NF 0.003003 0.42281 3.1746
97 2B4R AES 0.0007776 0.42111 3.1746
98 1GAD NAD 0.0008349 0.41835 3.1746
99 2Y6Q FAD 0.0005087 0.41822 3.1746
100 3GJB AKG 0.00676 0.41769 3.1746
101 3A4T SFG 0.003767 0.41645 3.1746
102 2CDU FAD 0.00238 0.41611 3.1746
103 1MRH FMC 0.02273 0.41591 3.1746
104 4IMG NGF 0.001494 0.41327 3.1746
105 3V91 UPG 0.0009165 0.41299 3.1746
106 1M5B BN1 0.002233 0.40913 3.1746
107 2NVK NAP 0.03124 0.40851 3.1746
108 1OYB FMN 0.001045 0.40758 3.1746
109 3IHG FAD 0.002597 0.40708 3.1746
110 3P7I P7I 0.01536 0.40703 3.1746
111 4MP8 NAD 0.005608 0.40254 3.1746
112 1DR1 NAP 0.001061 0.40218 3.1746
113 1DR1 HBI 0.001061 0.40218 3.1746
114 2ZWA SAH 0.008483 0.40147 3.1746
115 2C31 TZD 0.007435 0.40059 3.1746
116 2C31 ADP 0.007143 0.40059 3.1746
117 1ZJ6 G3D 0.0004548 0.45532 3.20856
118 4COQ SAN 0.001009 0.47188 3.23887
119 2Q37 3AL 0.001987 0.45172 3.31492
120 3UEC ALA ARG TPO LYS 0.02102 0.41586 3.42466
121 2C5S AMP 0.0001946 0.48255 3.57143
122 2Q8H TF4 0.003331 0.46993 3.57143
123 5MDH NAD 0.00007705 0.46754 3.57143
124 2HYV UAP SGN IDS SGN IDS 0.00401 0.45989 3.57143
125 4MDH NAD 0.0001503 0.45631 3.57143
126 3ULK NDP 0.000003341 0.44083 3.57143
127 4OOE NDP 0.0004736 0.44027 3.57143
128 1HYH NAD 0.0001765 0.44006 3.57143
129 2R5T ANP 0.0003711 0.43 3.57143
130 3L4S 3PG 0.001071 0.42594 3.57143
131 4J4H NAI 0.002506 0.42543 3.57143
132 4J4H 1J1 0.002177 0.42508 3.57143
133 1E4E PHY 0.001623 0.42419 3.57143
134 3L4S NAD 0.001134 0.42365 3.57143
135 4M38 SAH 0.003184 0.42284 3.57143
136 2YX1 SFG 0.00988 0.41814 3.57143
137 4E13 NAD 0.0002659 0.41745 3.57143
138 1B8U OAA 0.001934 0.41469 3.57143
139 3NTD FAD 0.002978 0.4145 3.57143
140 2PUL ACP 0.01135 0.41164 3.57143
141 1GET NAP 0.01197 0.41089 3.57143
142 1B8U NAD 0.0003035 0.41072 3.57143
143 1GET FAD 0.01331 0.40773 3.57143
144 3GXO SAH 0.02031 0.40302 3.57143
145 4OE4 NAD 0.0005673 0.40165 3.57143
146 4FWE FAD 0.008502 0.4012 3.57143
147 1V59 FAD 0.009525 0.40095 3.57143
148 2VBQ BSJ 0.0001381 0.42466 3.63636
149 3R51 MMA 0.02176 0.42739 3.75
150 1YOA FMN 0.00538 0.4774 3.77358
151 2JL1 NAP 0.00008285 0.43882 3.83275
152 1YS4 NAP 0.0005121 0.41153 3.9548
153 1SB8 UD2 0.000000008794 0.65469 3.96825
154 1SB8 NAD 0.0000000138 0.64079 3.96825
155 1ORR NAD 0.000000004602 0.63413 3.96825
156 4M5P MLA 0.000701 0.51572 3.96825
157 4MIG G3F 0.002249 0.42913 3.96825
158 3PLN U5P 0.004927 0.42856 3.96825
159 3I6I NDP 0.00005154 0.42726 3.96825
160 2DKH FAD 0.00105 0.42629 3.96825
161 2DKH 3HB 0.001617 0.42611 3.96825
162 2C2A ADP 0.001114 0.42589 3.96825
163 3GU3 SAH 0.01135 0.42308 3.96825
164 4M5P 23W 0.0203 0.42247 3.96825
165 4E28 9MZ 0.0141 0.41864 3.96825
166 1I2L DCS 0.001248 0.41598 3.96825
167 4JWX 1N4 0.01009 0.415 3.96825
168 4E28 0MZ 0.01362 0.41413 3.96825
169 1J49 NAD 0.001808 0.41168 3.96825
170 1D6H COA 0.001317 0.40586 3.96825
171 4C6F NCD 0.01162 0.40346 3.96825
172 4C6F DOR 0.01162 0.40346 3.96825
173 1X7D NAD 0.003085 0.40283 3.96825
174 3S5W FAD 0.003611 0.40159 3.96825
175 1L1E SAH 0.01407 0.40074 3.96825
176 1I7Q PYR 0.01902 0.42167 4.14508
177 4IAE 1DX 0.002478 0.40492 4.2328
178 2QBU SAH 0.007126 0.41411 4.31034
179 1KEW TYD 0.0000001201 0.60523 4.36508
180 1KEW NAD 0.0000002532 0.59324 4.36508
181 2X6T NAP 0.0000001326 0.56078 4.36508
182 1EQ2 NAP 0.0000002924 0.54786 4.36508
183 2BH9 NAP 0.001099 0.45931 4.36508
184 1GUZ NAD 0.0001504 0.45281 4.36508
185 2XDQ MGX 0.009498 0.44622 4.36508
186 3OJO NAD 0.0009153 0.43894 4.36508
187 1WP4 NDP 0.0006669 0.43124 4.36508
188 2NU8 COA 0.0009085 0.42912 4.36508
189 2Z9V PXM 0.005078 0.42799 4.36508
190 3IU9 T07 0.0007107 0.42599 4.36508
191 3KB6 NAD 0.001045 0.42368 4.36508
192 1F8G NAD 0.002646 0.42297 4.36508
193 4JK3 NAD 0.0007557 0.41996 4.36508
194 3MAG 3MA 0.04278 0.4184 4.36508
195 1H9A NAP 0.001863 0.41787 4.36508
196 1EYE PMM 0.004589 0.41549 4.36508
197 1GQ2 NAP 0.001579 0.41392 4.36508
198 1J5P NAD 0.002003 0.41274 4.36508
199 1Q11 TYE 0.01342 0.4096 4.36508
200 2RAB FAD 0.006835 0.40593 4.36508
201 2CVZ NDP 0.003576 0.40565 4.36508
202 1K6M AGS 0.002016 0.40515 4.36508
203 3I51 45C 0.009021 0.40382 4.36508
204 2RAB NAD 0.01645 0.4038 4.36508
205 3S7O LBV 0.0005095 0.40373 4.36508
206 3JV7 NAD 0.002833 0.40028 4.36508
207 1C3V NDP 0.001322 0.40779 4.4898
208 1B4P GPS 0.003165 0.40556 4.60829
209 4R1S NAP 0.000000006414 0.6321 4.7619
210 3TFC PEP 0.0002141 0.4877 4.7619
211 1LDN NAD 0.00007123 0.46849 4.7619
212 4DPL NAP 0.00009959 0.4545 4.7619
213 1Z41 FMN 0.0002991 0.45173 4.7619
214 2BJK NAD 0.0002824 0.435 4.7619
215 4EIP K2C 0.001698 0.43231 4.7619
216 1KTC NGA 0.004589 0.4299 4.7619
217 1DJN ADP 0.00165 0.42829 4.7619
218 1Z44 NPO 0.04161 0.42649 4.7619
219 3MB5 SAM 0.002215 0.42297 4.7619
220 4EIP FAD 0.003332 0.41857 4.7619
221 1Z44 FMN 0.00321 0.41724 4.7619
222 1XVV CCQ 0.0004341 0.41625 4.7619
223 1P72 ADP 0.0002089 0.41497 4.7619
224 4NEC SAH 0.01063 0.41298 4.7619
225 1EXB NDP 0.004144 0.4085 4.7619
226 3OCZ SRA 0.003459 0.40792 4.7619
227 3VYW SAM 0.01049 0.4004 4.7619
228 1JJV ATP 0.03724 0.40551 4.85437
229 1O94 ADP 0.001618 0.42539 5
230 2Q46 NAP 0.00000007008 0.57964 5.15873
231 2Q1A 2KT 0.002477 0.45378 5.15873
232 2JFV FLC 0.002659 0.45235 5.15873
233 1CKM GTP 0.004318 0.4259 5.15873
234 1E6E FAD 0.002082 0.41839 5.15873
235 2E5V FAD 0.005165 0.40994 5.15873
236 3O2K QRP 0.008621 0.40878 5.15873
237 1U1I NAD 0.0006871 0.40716 5.15873
238 1GV0 NAD 0.00007836 0.46527 5.16129
239 2O66 FLC 0.004819 0.43445 5.18518
240 1VE3 SAM 0.0007362 0.4281 5.28634
241 3DXY SAM 0.01199 0.41786 5.50459
242 1E7S NAP 0.00000003371 0.59848 5.55556
243 1VDC FAD 0.00006864 0.44995 5.55556
244 3P3N AKG 0.003629 0.44608 5.55556
245 3JQ3 ADP 0.001117 0.44506 5.55556
246 3WLE NAD 0.001033 0.43035 5.55556
247 4R5M NAP 0.0006244 0.42926 5.55556
248 4A6D SAM 0.002776 0.42891 5.55556
249 1X14 NAD 0.005232 0.42372 5.55556
250 1QF5 RPL 0.0005535 0.42152 5.55556
251 1QF5 GDP 0.0005535 0.42152 5.55556
252 1N7G GDR 0.0000008385 0.4189 5.55556
253 4R5M 4NO 0.0007285 0.41801 5.55556
254 1NVM NAD 0.0008332 0.41607 5.55556
255 1H82 GZZ 0.008392 0.41372 5.55556
256 1H82 FAD 0.008626 0.41049 5.55556
257 1D1T NAD 0.001166 0.40597 5.55556
258 3SHR CMP 0.01016 0.40586 5.55556
259 3EVG SAH 0.01102 0.40555 5.55556
260 1TDF NAP 0.02032 0.40214 5.55556
261 2WA4 069 0.01095 0.40046 5.55556
262 1MXI SAH 0.0001012 0.45874 5.625
263 2OFE NAG 0.006273 0.43503 5.6338
264 1V7R CIT 0.005785 0.46596 5.91398
265 1EK6 UPG 0.00000008726 0.61743 5.95238
266 3KO8 NAD 0.000000001673 0.61182 5.95238
267 1PL6 NAD 0.0001947 0.47531 5.95238
268 1H0C AOA 0.002366 0.46165 5.95238
269 4RJK PYR 0.005175 0.45226 5.95238
270 3ABI NAD 0.0002621 0.43868 5.95238
271 3CGD NAD 0.003874 0.4366 5.95238
272 4KOA NDP 0.003012 0.43475 5.95238
273 4ZRN NAD 0.001887 0.42845 5.95238
274 4RQU NAD 0.001318 0.41691 5.95238
275 2IXB NAD 0.0008889 0.41482 5.95238
276 3D2Y AH0 ALA FGA LYS 0.001903 0.41343 5.95238
277 2HK9 NAP 0.001152 0.41284 5.95238
278 1EP2 ORO 0.0003918 0.41128 5.95238
279 1RM4 NDP 0.001566 0.41115 5.95238
280 3FUU ADN 0.007955 0.40871 5.95238
281 1PL6 572 0.001035 0.40795 5.95238
282 2QRK AMP 0.006071 0.40223 5.95238
283 4RJK TPP 0.0005966 0.40185 5.95238
284 1MZV AMP 0.01225 0.40252 5.95745
285 1ULE GLA GAL NAG 0.004469 0.45545 6
286 1DXY NAD 0.001773 0.40618 6.00601
287 2YLD CMO 0.001839 0.45979 6.29921
288 1HDO NAP 0.0000004958 0.51481 6.31068
289 3CIF NAD 0.00012 0.45654 6.34921
290 1SAY PYR 0.0005934 0.43724 6.34921
291 3CIF G3H 0.0007855 0.43378 6.34921
292 3I0O ADP 0.003004 0.42752 6.34921
293 1CF2 NAP 0.0004823 0.42697 6.34921
294 3I0O SMI 0.007203 0.4266 6.34921
295 4E5N NAD 0.0007126 0.41859 6.34921
296 1WDA BAG 0.007785 0.4151 6.34921
297 4C3Y FAD 0.003922 0.41284 6.34921
298 1QO8 FAD 0.004571 0.41114 6.34921
299 2GLX NDP 0.004895 0.40573 6.34921
300 1REO FAD 0.005738 0.40423 6.34921
301 4C3Y ANB 0.008587 0.40363 6.34921
302 1FIQ MTE 0.00003965 0.43423 6.39269
303 1FIQ SAL 0.0000515 0.43423 6.39269
304 1G8S MET 0.004435 0.44203 6.52174
305 1I2B NAD 0.0000001992 0.60132 6.74603
306 3WMX NAD 0.0000001259 0.58116 6.74603
307 1VL0 NAI 0.00000003429 0.57444 6.74603
308 1I2B UPG 0.000004461 0.49407 6.74603
309 1I2B USQ 0.000004461 0.49407 6.74603
310 1RZM PEP 0.0002759 0.48293 6.74603
311 3V1Y NAD 0.0001948 0.45548 6.74603
312 1RZM E4P 0.007005 0.43895 6.74603
313 3T31 FAD 0.002527 0.4312 6.74603
314 3T31 DCQ 0.002753 0.4312 6.74603
315 1EBF NAD 0.000313 0.42776 6.74603
316 1X87 NAD 0.0002296 0.42689 6.74603
317 2BRY FAD 0.001115 0.42526 6.74603
318 1WDK NAD 0.0003205 0.42237 6.74603
319 1YY5 FAD 0.006165 0.40775 6.74603
320 1N4W FAD 0.005974 0.40739 6.74603
321 1Q8A HCS 0.04112 0.40251 6.74603
322 4FR3 LYS ARG ARG LYS SEP VAL 0.004666 0.40617 6.83761
323 2JGS BTN 0.006013 0.42741 6.92308
324 1RSG FAD 0.006844 0.40408 6.97674
325 1VM6 NAD 0.0008742 0.41364 7.01754
326 1V8B NAD 0.003553 0.40926 7.09812
327 2JBH 5GP 0.0002847 0.4756 7.11111
328 1A5Z NAD 0.00004277 0.49892 7.14286
329 1CER NAD 0.0002767 0.44947 7.14286
330 3MD0 GDP 0.001354 0.44711 7.14286
331 1T0S BML 0.01052 0.43682 7.14286
332 3A06 NDP 0.00009985 0.43351 7.14286
333 3LTW HLZ 0.007439 0.43158 7.14286
334 2A92 NAI 0.0004222 0.4226 7.14286
335 3A06 FOM 0.0001161 0.42246 7.14286
336 4W6Z 8ID 0.002134 0.41797 7.14286
337 3UCL CYH 0.008204 0.41607 7.14286
338 4KRI SAH 0.004811 0.41509 7.14286
339 4OYA 1VE 0.006437 0.4134 7.14286
340 1VKO NAD 0.0007803 0.41262 7.14286
341 1TB4 PEJ 0.002212 0.40417 7.14286
342 1EB9 HBA 0.00885 0.40415 7.14286
343 3NYQ AMP 0.0007353 0.40188 7.14286
344 3NYQ MCA 0.0006603 0.40188 7.14286
345 1SS4 GSH 0.0002505 0.56648 7.18954
346 2DC1 NAD 0.001389 0.41339 7.20339
347 4QTU SAM 0.004415 0.42001 7.21154
348 4B9E FAH 0.001113 0.4774 7.30897
349 2BOS GLA GAL GLC 0.02199 0.41624 7.35294
350 2BOS GLA GAL GLC NBU 0.02296 0.41484 7.35294
351 2BTO GTP 0.001199 0.40175 7.40741
352 2BKA NDP 0.000000611 0.54383 7.43802
353 1H2B NAJ 0.0009782 0.40464 7.52089
354 1GJW GLC 0.006678 0.43995 7.53968
355 2NCD ADP 0.005152 0.43314 7.53968
356 2OOR NAD 0.002607 0.42324 7.53968
357 2ZJF BSU 0.00911 0.4078 7.53968
358 3GWT 066 0.0004843 0.40437 7.53968
359 1KNR FAD 0.007318 0.40101 7.53968
360 1R27 MGD 0.001131 0.40016 7.53968
361 3S9K CIT 0.01263 0.46645 7.62712
362 1EJ0 SAM 0.001017 0.45218 7.77778
363 2F5Z FAD 0.007378 0.40369 7.8125
364 1TUV VK3 0.01371 0.4379 7.89474
365 4F4S EFO 0.01022 0.41476 7.89474
366 2C29 NAP 0.0000002042 0.47497 7.93651
367 1SOW NAD 0.00008025 0.46808 7.93651
368 2C29 DQH 0.0000005805 0.46195 7.93651
369 4C4A SAH 0.00109 0.44681 7.93651
370 4LHM AZZ 0.008527 0.4233 7.93651
371 1RYI FAD 0.003213 0.41631 7.93651
372 3CF6 SP1 0.002896 0.41475 7.93651
373 1LJ8 NAD 0.004856 0.41177 7.93651
374 1RYI GOA 0.001024 0.40923 7.93651
375 1M2W NAD 0.005093 0.4079 7.93651
376 2E1A MSE 0.006319 0.41892 8
377 5A2J ALA PRO ASP THR ARG PRO 0.03372 0.41427 8.19672
378 2YVJ NAI 0.004389 0.4236 8.25688
379 1WVG APR 0.0000001437 0.58477 8.33333
380 1RPN NDP 0.00000002669 0.54209 8.33333
381 2C5A NAD 0.0000001882 0.44159 8.33333
382 4CCO OGA 0.007791 0.4199 8.33333
383 2FEQ 34P 0.002169 0.41533 8.33333
384 2YB9 HA0 0.0003038 0.40873 8.33333
385 3DGB MUC 0.007199 0.40772 8.33333
386 4OB6 S2T 0.006322 0.40201 8.33333
387 1DSS NAD 0.0002968 0.45181 8.73016
388 4K28 NAD 0.0002991 0.45167 8.73016
389 2CVQ NDP 0.0002696 0.44315 8.73016
390 2O2C G6Q 0.0008077 0.43555 8.73016
391 3LST SAH 0.005311 0.43111 8.73016
392 2DBZ NAP 0.001216 0.41824 8.73016
393 2VYN NAD 0.001477 0.41502 8.73016
394 1GR0 NAD 0.003022 0.40968 8.73016
395 4NTC FAD 0.005305 0.40758 8.73016
396 1XX4 BAM 0.01867 0.40559 8.73016
397 1U8X NAD 0.003842 0.40442 8.73016
398 1LLU NAD 0.0009638 0.40266 8.77193
399 3G89 SAM 0.003066 0.44258 8.83534
400 2FR6 URI 0.001473 0.41738 8.90411
401 2FR6 CTN 0.002084 0.41202 8.90411
402 2IZ1 ATR 0.0008603 0.49045 9.12698
403 4L8V NAP 0.0008579 0.4255 9.12698
404 1V5F TPP 0.01655 0.41113 9.12698
405 1V5F FAD 0.01655 0.41113 9.12698
406 1YBH FAD 0.001346 0.40135 9.12698
407 1Y75 NAG 0.006338 0.41887 9.32203
408 1JYQ MAZ PTR PTM ASN 0.00284 0.40096 9.375
409 4PVD NDP 0.0000001205 0.55909 9.52381
410 3CMC NAD 0.001282 0.45097 9.52381
411 3ZPG 5GP 0.01049 0.44396 9.52381
412 3VPH NAD 0.00007442 0.44322 9.52381
413 3L9W AMP 0.0008151 0.42779 9.52381
414 4WVH ASP HIS ASP ALA HIS ALA 0.005745 0.42067 9.52381
415 3VPH OXM 0.0003776 0.41138 9.52381
416 3L9W GSH 0.002806 0.40441 9.52381
417 3NOJ PYR 0.02047 0.40381 9.52381
418 1R37 NAD 0.00231 0.41423 9.79827
419 3H86 AP5 0.0003012 0.43411 9.89583
420 1V35 NAI 0.000001066 0.46872 9.92064
421 4PLG NAI 0.00009752 0.42419 9.92064
422 1P31 EPU 0.004547 0.4229 9.92064
423 4PLG OXM 0.0002321 0.422 9.92064
424 3BY9 SIN 0.03566 0.40492 9.92064
425 2DT5 NAD 0.0004037 0.43648 9.95261
426 1SQ5 PAU 0.0005837 0.4688 10.3175
427 1BW9 NAD 0.0009212 0.4424 10.3175
428 1C1X NAD 0.0006828 0.43401 10.3175
429 1O0S NAI 0.002803 0.4187 10.3175
430 1LVL NAD 0.004097 0.4181 10.3175
431 1BXG NAD 0.0008664 0.41712 10.3175
432 1LVL FAD 0.000584 0.41676 10.3175
433 1SQ5 ADP 0.00627 0.41011 10.3175
434 1SQF SAM 0.0106 0.40632 10.3175
435 3KJQ B94 0.00431 0.41658 10.3659
436 3ICS ADP 0.0003949 0.4907 10.7143
437 1P77 ATR 0.0009074 0.49003 10.7143
438 2EXX NAP 0.0000218 0.45792 10.7143
439 3ICT FAD 0.00219 0.41867 10.7143
440 3ICR FAD 0.002333 0.41759 10.7143
441 1SC6 NAD 0.003304 0.4057 10.7143
442 3CTY FAD 0.007512 0.40427 10.7143
443 1JG3 ADN 0.0106 0.40632 11.0638
444 2WCI GSH 0.02748 0.40033 11.1111
445 2ZWS PLM 0.002609 0.49529 11.5079
446 2VHW NAI 0.001112 0.4291 11.5079
447 1ME8 RVP 0.007488 0.40328 11.5079
448 1GY8 NAD 0.00000004744 0.56957 11.5869
449 1OC2 NAD 0.00000009612 0.44286 11.9048
450 1MUU NAD 0.0007527 0.4356 11.9048
451 1MV8 NAD 0.0005011 0.42599 11.9048
452 3SSO SAH 0.003141 0.4231 11.9048
453 2ZJ5 ADP 0.009271 0.42166 11.9048
454 4KQL 1SG 0.002137 0.41272 11.9048
455 3QV1 NAD 0.002497 0.40633 12.1951
456 2B7N NTM 0.005872 0.43059 12.3016
457 9LDT NAD 0.00006091 0.4711 12.6984
458 9LDB NAD 0.00006009 0.45704 12.6984
459 3H9E NAD 0.0005863 0.43662 12.6984
460 3UOY NAP 0.002935 0.43635 12.6984
461 3GTD MLI 0.0125 0.41582 12.6984
462 1HKU NAD 0.000877 0.41488 12.6984
463 4II2 ATP 0.007528 0.40666 12.6984
464 4PTZ FMN 0.003842 0.40626 13.089
465 3A1I UNU 0.004009 0.42239 13.0952
466 1JNR FAD 0.01034 0.41647 13.3333
467 2Q09 DI6 0.003994 0.42732 13.4921
468 1XE7 GUN 0.009355 0.44657 13.7931
469 3RGG AIR 0.0224 0.40813 13.8365
470 2NLI FMN 0.001546 0.41429 13.8889
471 2NLI LAC 0.001765 0.41396 13.8889
472 3L8G GMB 0.03518 0.40574 13.9037
473 1T26 GBD 0.0000005405 0.55311 14.2857
474 1T26 NAI 0.0002729 0.46031 14.2857
475 3BAZ NAP 0.0003831 0.44736 14.2857
476 3TKA CTN 0.00007953 0.59214 14.6825
477 3TKA SAM 0.00102 0.41516 14.6825
478 2D7I UDP 0.02169 0.40513 14.6825
479 1I0Z NAI 0.0001534 0.44731 15.0794
480 1I0Z OXM 0.01892 0.43058 15.0794
481 3DMH SAM 0.008241 0.40495 15.0794
482 3QDT A2G GAL 0.000323 0.51242 15.3846
483 3QDY A2G GAL 0.0005115 0.50246 15.3846
484 3QDY CBS 0.00895 0.43381 15.3846
485 3B1F NAD 0.00006158 0.49221 15.4762
486 1W7J ADP BEF 0.0002435 0.45001 15.873
487 1HDG NAD 0.0008053 0.43442 15.873
488 2EJU SAH 0.01298 0.40234 15.873
489 2EG5 SAH 0.02197 0.40137 15.873
490 3BHO B4P 0.001529 0.49735 16.3462
491 2HJR APR 0.00001296 0.51586 16.6667
492 2GZ3 NAP 0.0001377 0.47876 16.6667
493 2V5E SCR 0.005242 0.46829 16.8317
494 4EUE NAI 0.0000003778 0.55795 17.0635
495 2F1K NAP 0.0003382 0.44604 17.0635
496 2XYQ SAH 0.004439 0.42337 17.0635
497 1T10 F6P 0.001833 0.4533 17.4603
498 4J36 1HR 0.001623 0.43023 17.8571
499 4J36 FAD 0.0009258 0.4284 17.8571
500 1Z45 NAD 0.000000003161 0.62095 18.254
501 1FK8 NAD 0.0000000001908 0.70014 18.6508
502 2DKN NAI 0.00000000007937 0.69178 18.6508
503 1HYE NAP 0.0001474 0.47193 18.6508
504 3O26 NDP 0.00000000003493 0.70824 19.4444
505 4PIV NDP 0.00000006645 0.58497 19.4444
506 2Q1W NAD 0.000000105 0.55042 19.4444
507 2PR5 FMN 0.0003073 0.44159 19.697
508 2V6G NAP 0.000001419 0.53387 19.8413
509 1LDM NAD 0.0002224 0.44141 20.2381
510 3B1J NAD 0.0007408 0.42211 20.2381
511 3B20 NAD 0.001792 0.40265 20.2381
512 2D2I NAP 0.001878 0.42275 20.6349
513 3HAZ NAD 0.0001899 0.40909 20.6349
514 2PZM NAD 0.000001196 0.5564 21.0317
515 2HMT NAI 0.0008204 0.44454 21.5278
516 4HXY NDP 0.0000000001648 0.68513 21.6895
517 4TQG NDP 0.0000000009235 0.65121 23.0159
518 2Q0L NAP 0.01609 0.40448 23.0159
519 1UO5 PIH 0.0001361 0.56817 23.5294
520 1UXG FUM 0.000000009695 0.55535 26.5873
521 1UXG NAD 0.0000208 0.49985 26.5873
522 1HDR NAD 0.00004045 0.40136 26.9841
523 3A4V NAD 0.00000001184 0.55344 28.1746
524 3A4V PYR 0.004423 0.40983 28.1746
525 3RFV NAI 0.00000004015 0.59468 28.5714
526 3RFV 15L 0.000003097 0.52635 28.5714
527 3ORF NAD 0.0000006953 0.5417 30.6773
528 4K26 NDP 0.0000000001236 0.66198 31.746
529 4K26 SFF 0.0000000005334 0.57168 31.746
530 3RJ5 NAD 0.000000003236 0.5593 32.1429
531 1XSE NDP 0.00000000001963 0.60557 32.5397
532 3CH6 311 0.0000000004927 0.71793 32.9365
533 1A27 NAP 0.000000006152 0.61023 35.3175
534 3HB5 NAP 0.00000000003922 0.54819 35.3175
535 1OAA OAA 0.000000000575 0.54607 35.3175
536 1A27 EST 0.006559 0.40141 35.3175
537 1Z6Z NAP 0.000000003724 0.63066 35.7143
538 3TN7 NJP 0.00000000002138 0.71922 38.0952
539 1W73 NAP 0.00000000001077 0.75931 38.8889
540 1W8D NAP 0.00000000001289 0.75612 38.8889
541 3WXB NDP 0.0001729 0.47814 39.2857
542 1GZ6 NAI 0.0000000001915 0.65427 39.6825
543 1SNY NAP 0.000000002737 0.62119 39.6825
544 1W6U NAP 0.00000000001393 0.68515 40.0794
545 1N5D NDP 0.0000000001018 0.66478 40.0794
546 1WMA AB3 0.0000000006993 0.5402 40.4762
547 1WMA NDP 0.002652 0.40463 40.4762
548 4O0L NDP 0.00000000002537 0.68687 41.0909
549 2PK3 A2R 0.0000004908 0.50393 41.2698
550 3ZV6 NAD 0.0000000003244 0.56423 41.6667
551 3ZV6 4HB 0.0000000003626 0.55639 41.6667
552 2FOI JPA 0.006008 0.4152 41.6667
553 1ZBQ NAD 0.00000000003211 0.67092 42.8571
554 4IXW IXW 0.0006742 0.45985 42.8571
555 2BD0 NAP 0.000000000003138 0.70805 43.0328
556 4FC7 NAP 0.0000000001563 0.71087 44.4444
557 2BGM NAJ 0.00000000007924 0.67666 44.964
558 2GDZ NAD 0.000000000001389 0.76182 45.2381
559 1XG5 NAP 0.0000000000705 0.67102 45.6349
560 1BDB NAD 0.000000002294 0.59877 46.4286
561 2JAH NDP 0.000000000004764 0.71269 46.5587
562 3GEG NAD 0.00000000008236 0.68382 46.9636
563 2JAP NDP 0.0000000000008096 0.74032 47.7733
564 1LSS NAD 0.0007851 0.44914 47.8571
565 1PR9 NAP 0.00000000001279 0.73328 47.9508
566 3D3W NAP 0.0000000005061 0.63982 47.9508
567 1ZK4 AC0 0.0000000000000614 0.77861 49.4024
568 1ZK4 NAP 0.000000000007723 0.74953 49.4024
569 1AE1 NAP 0.000000000002314 0.76208 50
Pocket No.: 2; Query (leader) PDB : 3SJ7; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3sj7.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback