Receptor
PDB id Resolution Class Description Source Keywords
4Q9N 1.79 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF CHLAMYDIA TRACHOMATIS ENOYL-ACP REDUCTA IN COMPLEX WITH NADH AND AFN-1252 CHLAMYDIA TRACHOMATIS F/11-96 ENOYL-ACP REDUCTASE NADH AFN-1252 FATTY ACID SYNTHESIS COXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: TYPE II FATTY ACID SYNTHESIS IS ESSENTIAL FOR THE REPLICATION OF CHLAMYDIA TRACHOMATIS. J.BIOL.CHEM. V. 289 22365 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAI E:301;
F:301;
D:301;
C:301;
G:301;
H:301;
B:301;
A:301;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
665.441 C21 H29 N7 O14 P2 c1nc(...
0WE E:302;
H:302;
G:302;
D:302;
C:302;
A:302;
F:302;
B:302;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
ic50 = 0.95 uM
377.436 C22 H23 N3 O3 Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4Q9N 1.79 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF CHLAMYDIA TRACHOMATIS ENOYL-ACP REDUCTA IN COMPLEX WITH NADH AND AFN-1252 CHLAMYDIA TRACHOMATIS F/11-96 ENOYL-ACP REDUCTASE NADH AFN-1252 FATTY ACID SYNTHESIS COXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: TYPE II FATTY ACID SYNTHESIS IS ESSENTIAL FOR THE REPLICATION OF CHLAMYDIA TRACHOMATIS. J.BIOL.CHEM. V. 289 22365 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 4Q9N ic50 = 0.95 uM 0WE C22 H23 N3 O3 Cc1c2ccccc....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1D7O - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
2 1CWU - NAD TDB n/a n/a
3 1ENO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 4O1M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 4Q9N ic50 = 0.95 uM 0WE C22 H23 N3 O3 Cc1c2ccccc....
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: NAI; Similar ligands found: 249
No: Ligand ECFP6 Tc MDL keys Tc
1 NAI 1 1
2 0WD 0.814815 0.986842
3 NDP 0.803738 0.986842
4 AP0 0.743119 0.961039
5 NMN AMP PO4 0.704348 0.960526
6 NAX 0.663717 0.961538
7 A2D 0.659574 0.933333
8 6V0 0.649123 0.986842
9 TXE 0.62931 0.948052
10 BA3 0.628866 0.933333
11 AP5 0.622449 0.933333
12 B4P 0.622449 0.933333
13 TXD 0.62069 0.923077
14 APR 0.613861 0.907895
15 AR6 0.613861 0.907895
16 EAD 0.609375 0.961538
17 AGS 0.607843 0.8625
18 SAP 0.607843 0.8625
19 ADP 0.606061 0.907895
20 ATP 0.60396 0.907895
21 50T 0.60396 0.871795
22 AN2 0.6 0.896104
23 A22 0.598131 0.921053
24 5FA 0.598039 0.907895
25 AQP 0.598039 0.907895
26 CA0 0.594059 0.909091
27 M33 0.594059 0.896104
28 AD9 0.592233 0.884615
29 NAJ PZO 0.592 0.935897
30 P1H 0.590909 0.9375
31 ACP 0.588235 0.884615
32 A1R 0.587156 0.851852
33 4AD 0.587156 0.886076
34 PRX 0.582524 0.8375
35 ANP 0.580952 0.884615
36 3OD 0.580357 0.909091
37 SRP 0.579439 0.873418
38 ADX 0.578431 0.821429
39 OAD 0.576577 0.909091
40 5AL 0.575472 0.896104
41 ADJ 0.569106 0.890244
42 UP5 0.566667 0.960526
43 ACQ 0.566038 0.884615
44 AMP 0.561224 0.881579
45 A 0.561224 0.881579
46 ATF 0.555556 0.873418
47 8QN 0.54955 0.896104
48 25L 0.547826 0.921053
49 4TC 0.544715 0.935897
50 ADQ 0.544643 0.909091
51 PAJ 0.544643 0.853659
52 AMO 0.544643 0.897436
53 ABM 0.544554 0.858974
54 NPW 0.544 0.949367
55 WAQ 0.54386 0.851852
56 PR8 0.54386 0.821429
57 LAD 0.54386 0.831325
58 DG1 0.541353 0.986842
59 1DG 0.541353 0.986842
60 00A 0.539823 0.875
61 NZQ 0.539683 0.974026
62 1ZZ 0.53913 0.811765
63 BIS 0.53913 0.851852
64 APC 0.537736 0.873418
65 OMR 0.536585 0.823529
66 5SV 0.535714 0.797619
67 OOB 0.535714 0.921053
68 25A 0.535714 0.907895
69 3UK 0.535088 0.909091
70 AMP MG 0.534653 0.835443
71 AP2 0.533981 0.873418
72 A12 0.533981 0.873418
73 NXX 0.528455 0.922078
74 DND 0.528455 0.922078
75 CNA 0.527559 0.922078
76 AHX 0.526316 0.864198
77 DLL 0.526316 0.921053
78 FYA 0.525862 0.871795
79 NB8 0.525862 0.864198
80 ME8 0.525862 0.811765
81 PTJ 0.525862 0.841463
82 YAP 0.525424 0.886076
83 SRA 0.524752 0.8375
84 SON 0.52381 0.873418
85 TAT 0.522936 0.873418
86 VO4 ADP 0.522523 0.871795
87 ADP VO4 0.522523 0.871795
88 48N 0.520325 0.864198
89 YLP 0.520325 0.793103
90 YLB 0.52 0.793103
91 AU1 0.518868 0.884615
92 ADP MG 0.518868 0.848101
93 ADP PO3 0.518519 0.881579
94 9SN 0.516949 0.864198
95 BEF ADP 0.514019 0.82716
96 ADP BEF 0.514019 0.82716
97 ATP MG 0.513761 0.848101
98 TXA 0.512821 0.897436
99 FA5 0.512605 0.897436
100 GAP 0.509091 0.860759
101 4UU 0.508197 0.960526
102 YLC 0.507937 0.833333
103 T5A 0.507812 0.925926
104 RBY 0.504587 0.873418
105 ADV 0.504587 0.873418
106 4UW 0.504 0.924051
107 TXP 0.503876 0.911392
108 DAL AMP 0.5 0.871795
109 ALF ADP 0.5 0.817073
110 G3A 0.5 0.8875
111 TYM 0.5 0.897436
112 ADP ALF 0.5 0.817073
113 LAQ 0.5 0.811765
114 COD 0.496183 0.786517
115 YLA 0.496124 0.813953
116 139 0.496124 0.9125
117 AFH 0.495935 0.853659
118 G5P 0.495935 0.8875
119 XAH 0.495868 0.811765
120 ANP MG 0.495575 0.839506
121 BT5 0.492424 0.784091
122 AYB 0.492308 0.784091
123 A4P 0.492188 0.880952
124 GTA 0.491935 0.855422
125 4UV 0.491803 0.960526
126 A2R 0.491228 0.896104
127 MAP 0.486957 0.8625
128 XNP 0.484848 0.936709
129 NAD 0.484848 0.921053
130 UPA 0.484375 0.948052
131 7MD 0.483871 0.833333
132 MYR AMP 0.483333 0.790698
133 NA7 0.483051 0.873418
134 YLY 0.477941 0.784091
135 ATR 0.477477 0.881579
136 LA8 ALF 3PG 0.476562 0.809524
137 ALF ADP 3PG 0.476562 0.809524
138 AOC 0.47619 0.792208
139 ATP A A A 0.47541 0.894737
140 BTX 0.473684 0.793103
141 5AS 0.472222 0.736264
142 TYR AMP 0.471545 0.873418
143 NAQ 0.471014 0.864198
144 ADP BMA 0.470588 0.884615
145 N0B 0.467626 0.835294
146 A A 0.466667 0.883117
147 A3D 0.466667 0.909091
148 NJP 0.466165 0.910256
149 IOT 0.465649 0.784091
150 AF3 ADP 3PG 0.465116 0.809524
151 PAP 0.464286 0.894737
152 NAE 0.463768 0.886076
153 7MC 0.461538 0.813953
154 DZD 0.459259 0.876543
155 ZID 0.457143 0.909091
156 TAD 0.456693 0.853659
157 2A5 0.455357 0.8375
158 62F 0.453947 0.833333
159 AHZ 0.453125 0.790698
160 FB0 0.452055 0.76087
161 JB6 0.45082 0.851852
162 ITT 0.45045 0.857143
163 7D4 0.45045 0.825
164 LPA AMP 0.449612 0.790698
165 G5A 0.447368 0.755556
166 M24 0.446043 0.843373
167 AVV 0.445378 0.841463
168 NAD IBO 0.444444 0.8625
169 NDC 0.442177 0.864198
170 ARG AMP 0.44186 0.781609
171 NSS 0.441667 0.775281
172 4TA 0.441176 0.890244
173 VMS 0.440678 0.764045
174 54H 0.440678 0.764045
175 7D3 0.440367 0.825
176 5CD 0.44 0.753247
177 PPS 0.439655 0.8
178 RAB 0.438776 0.789474
179 ADN 0.438776 0.789474
180 XYA 0.438776 0.789474
181 NDE 0.438356 0.897436
182 AR6 AR6 0.4375 0.883117
183 TSB 0.436975 0.793103
184 53H 0.436975 0.755556
185 DTA 0.436893 0.759494
186 A3P 0.436364 0.881579
187 A2P 0.436364 0.868421
188 A5A 0.435897 0.781609
189 FNK 0.435065 0.840909
190 ODP 0.433824 0.924051
191 SFG 0.433628 0.725
192 Z5A 0.433566 0.858824
193 6FA 0.433333 0.835294
194 SSA 0.432203 0.775281
195 J7C 0.431193 0.702381
196 DTP 0.431034 0.825
197 P5A 0.430894 0.723404
198 5N5 0.43 0.766234
199 DSZ 0.429752 0.775281
200 LSS 0.429752 0.73913
201 NAJ PYZ 0.429577 0.843373
202 52H 0.428571 0.755556
203 SFD 0.427632 0.731959
204 6AD 0.42735 0.831325
205 EP4 0.427184 0.707317
206 FDA 0.426667 0.870588
207 ARU 0.42623 0.788235
208 NVA LMS 0.42623 0.73913
209 6RE 0.425926 0.694118
210 A4D 0.425743 0.766234
211 5CA 0.425 0.775281
212 3DH 0.424528 0.725
213 AV2 0.423729 0.835443
214 LEU LMS 0.422764 0.73913
215 AMP DBH 0.421875 0.860759
216 DAT 0.421053 0.825
217 5X8 0.421053 0.7375
218 GSU 0.419355 0.755556
219 MTA 0.419048 0.725
220 3AT 0.418803 0.883117
221 DCA 0.41844 0.777778
222 ETB 0.41844 0.786517
223 FAS 0.418301 0.845238
224 FAD 0.418301 0.845238
225 A3N 0.418182 0.759494
226 F2N 0.417178 0.850575
227 7D5 0.415094 0.8
228 A U 0.414815 0.910256
229 YSA 0.414062 0.775281
230 NAD BBN 0.412903 0.835294
231 0T1 0.412587 0.777778
232 2AM 0.411215 0.857143
233 M2T 0.409524 0.690476
234 KAA 0.408 0.731183
235 7C5 0.407692 0.790123
236 3AM 0.407407 0.844156
237 AMP NAD 0.406897 0.873418
238 NAP 0.406897 0.909091
239 PUA 0.405594 0.9
240 FAY 0.405063 0.855422
241 P5F 0.404908 0.83908
242 EEM 0.403361 0.670455
243 COA 0.402778 0.777778
244 RFL 0.402516 0.816092
245 GJV 0.401786 0.686047
246 SA8 0.401709 0.686047
247 U A C C 0.401408 0.898734
248 G A A A 0.4 0.841463
249 WSA 0.4 0.784091
Ligand no: 2; Ligand: 0WE; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 0WE 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4Q9N; Ligand: NAI; Similar sites found: 385
This union binding pocket(no: 1) in the query (biounit: 4q9n.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4HXY NDP 0.0000005674 0.5395 1.34228
2 5E8J SAH 0.00623 0.43038 1.34228
3 5E9W SAH 0.02017 0.40911 1.34228
4 4YCA NDP 0.005158 0.40201 1.36054
5 5XVQ SAH 0.002822 0.42132 1.40845
6 1HDO NAP 0.000007652 0.48105 1.45631
7 2Q46 NAP 0.00001177 0.49854 1.58103
8 1E7S NAP 0.000001204 0.52924 1.67785
9 3LU1 NAD 0.000003616 0.51385 1.67785
10 4TQG NDP 0.000005736 0.51054 1.67785
11 4B9Q ATP 0.0065 0.41202 1.67785
12 3LKZ SFG 0.009001 0.40888 1.67785
13 1X7D NAD 0.003431 0.40378 1.67785
14 1J49 NAD 0.003995 0.40123 1.67785
15 5XVK SAH 0.004914 0.41119 1.76056
16 2PX8 SAH 0.01173 0.40683 1.85874
17 4OBW SAM 0.01648 0.40008 1.94553
18 2Q1S NAI 0.0001529 0.46492 2.01342
19 2HJR APR 0.0004996 0.4529 2.01342
20 1E5Q NDP 0.000412 0.43919 2.01342
21 1HYH NAD 0.0009342 0.41986 2.01342
22 1GV0 NAD 0.001742 0.4124 2.01342
23 3I27 SID 0.03647 0.40722 2.01342
24 1DXY NAD 0.004048 0.4062 2.01342
25 5KOK SAH 0.01044 0.40601 2.01342
26 4UCI SAM 0.01085 0.40525 2.01342
27 1GUZ NAD 0.001763 0.40341 2.01342
28 2O2C G6Q 0.02149 0.40093 2.01342
29 2G5C NAD 0.001588 0.41947 2.13523
30 1WMA NDP 0.0000001731 0.49145 2.17391
31 1WMA AB3 0.0000001731 0.49145 2.17391
32 5TCI MLI 0.0343 0.40563 2.17391
33 1X87 NAD 0.002638 0.42255 2.17786
34 2YY7 NAD 0.0000009849 0.53059 2.34899
35 1Z45 NAD 0.000004595 0.50991 2.34899
36 3V1Y NAD 0.0004972 0.44246 2.34899
37 2VHW NAI 0.002301 0.41151 2.34899
38 4XFR CIT 0.03441 0.4108 2.34899
39 2QZZ NAP 0.00285 0.40911 2.34899
40 2QZZ EMF 0.003044 0.40911 2.34899
41 4N49 SAM 0.00798 0.40812 2.34899
42 5CX6 CDP 0.04187 0.40527 2.34899
43 1F8G NAD 0.008874 0.40319 2.34899
44 3I8P 840 0.0208 0.40161 2.34899
45 3TLJ SAH 0.008418 0.40135 2.34899
46 2A92 NAI 0.002507 0.40024 2.34899
47 3ORF NAD 0.0002069 0.45069 2.39044
48 3B1F NAD 0.000222 0.47175 2.41379
49 5F5N NAD 0.0001566 0.46242 2.42215
50 2JAP NDP 0.00000002911 0.58747 2.42915
51 2JAH NDP 0.00000003175 0.58607 2.42915
52 2JL1 NAP 0.00249 0.42684 2.43902
53 2VDV SAM 0.02092 0.40481 2.43902
54 2BD0 NAP 0.000000004941 0.6074 2.45902
55 1PVS 7HP 0.03276 0.41334 2.48227
56 4NBT NAD 0.00000003103 0.59768 2.5
57 3WMX NAD 0.000001984 0.53788 2.68456
58 1KEW TYD 0.00003714 0.4957 2.68456
59 1KEW NAD 0.00005834 0.48893 2.68456
60 1PL6 NAD 0.001152 0.44482 2.68456
61 4PVD NDP 0.000102 0.44353 2.68456
62 1CER NAD 0.00093 0.43164 2.68456
63 1LDM NAD 0.0007821 0.42556 2.68456
64 3BAZ NAP 0.001784 0.42337 2.68456
65 4PKG ATP 0.005106 0.41986 2.68456
66 1O6Z NAD 0.002826 0.41822 2.68456
67 4B1W ATP 0.005585 0.41181 2.68456
68 1KXP ATP 0.007801 0.41166 2.68456
69 2V51 ATP 0.00722 0.41003 2.68456
70 4B1V ATP 0.008252 0.40749 2.68456
71 1EK6 NAI 0.00001124 0.40598 2.68456
72 1V59 NAD 0.02439 0.40498 2.68456
73 1UDB NAD 0.00002503 0.4042 2.68456
74 5EE7 5MV 0.04516 0.40394 2.68456
75 4B1X ATP 0.01031 0.40326 2.68456
76 1LDN NAD 0.002648 0.40302 2.68456
77 4B1Y ATP 0.009022 0.40288 2.68456
78 1PL6 572 0.002191 0.40191 2.68456
79 4JK3 NAD 0.001867 0.41959 2.7027
80 5MSO NAP 0.000003712 0.52706 2.72572
81 1OJ4 CDM 0.0137 0.41025 2.82686
82 2V6G NAP 0.0000003859 0.54572 3.02013
83 1R6D NAD 0.00004254 0.49644 3.02013
84 1WVG APR 0.00003223 0.49394 3.02013
85 1R6D DAU 0.00004819 0.49327 3.02013
86 2Q1W NAD 0.00001154 0.4852 3.02013
87 2VUT NAD 0.004298 0.41987 3.02013
88 5LD5 NAD 0.003162 0.41924 3.02013
89 1GZ4 FUM 0.01821 0.4182 3.02013
90 1I0Z NAI 0.001233 0.41808 3.02013
91 3OJO NAD 0.004246 0.41386 3.02013
92 2B4R NAD 0.001387 0.41348 3.02013
93 1SB8 NAD 0.00002887 0.41243 3.02013
94 5FPE 3TR 0.01293 0.41145 3.02013
95 4GKV NAD 0.0008156 0.40989 3.02013
96 1SB8 UD2 0.00002141 0.4052 3.02013
97 3HNC TTP 0.01818 0.4044 3.02013
98 1VE3 SAM 0.01262 0.40538 3.0837
99 5JGL SAM 0.01549 0.40444 3.11419
100 1NPD NAD 0.00663 0.40293 3.125
101 3RJ5 NAD 0.0000005712 0.49867 3.14961
102 3WXB NDP 0.00000001293 0.60057 3.22581
103 1BDB NAD 0.00000001546 0.58124 3.2491
104 1NYT NAP 0.00266 0.41634 3.32103
105 4J1Q NDP 0.000002695 0.50211 3.3557
106 5MPT SAH 0.0005726 0.4664 3.3557
107 2ZWA SAH 0.0008036 0.44786 3.3557
108 1VI2 NAD 0.004854 0.41442 3.3557
109 3Q9T FAY 0.002588 0.41181 3.3557
110 1X14 NAD 0.01076 0.41181 3.3557
111 3G6M CFF 0.03468 0.40773 3.3557
112 5VKT NAP 0.002948 0.40376 3.3557
113 1G55 SAH 0.01322 0.40142 3.3557
114 5U5G NAP 0.001372 0.4191 3.38983
115 1VL0 NAI 0.000007238 0.47973 3.42466
116 1E3W NAD 0.00000007665 0.57712 3.44828
117 1E6W NAD 0.00000006136 0.58077 3.46154
118 3MJE NDP 0.000001166 0.52393 3.69128
119 1RKX NAD 0.000005148 0.50388 3.69128
120 1V6A TRE 0.001795 0.4803 3.69128
121 3ABI NAD 0.00003613 0.47605 3.69128
122 2C29 NAP 0.00009954 0.4629 3.69128
123 1A5Z NAD 0.0006849 0.45083 3.69128
124 1LTH NAD 0.0008138 0.44052 3.69128
125 1EZ4 NAD 0.001927 0.41904 3.69128
126 4GNI ATP 0.01166 0.41358 3.69128
127 4DPL NAP 0.002239 0.40828 3.69128
128 4JBL MET 0.04187 0.40396 3.69128
129 1RSG FAD 0.006052 0.40159 3.69128
130 1Y8Q ATP 0.007357 0.40106 3.69128
131 3H8V ATP 0.000379 0.47452 3.76712
132 4E13 NAD 0.002258 0.43208 3.88693
133 3ZV6 NAD 0.00000003171 0.52002 3.91459
134 3ZV6 4HB 0.000000035 0.51346 3.91459
135 5L95 AMP 0.0004009 0.46901 3.94265
136 1JNR FAD 0.01319 0.40768 4
137 1GY8 NAD 0.000002824 0.51358 4.02685
138 3B20 NAD 0.0006408 0.4448 4.02685
139 2IZ1 ATR 0.01196 0.43663 4.02685
140 3H9E NAD 0.00212 0.41739 4.02685
141 3B1J NAD 0.001458 0.41533 4.02685
142 1HDG NAD 0.003706 0.41049 4.02685
143 2V7Y ADP 0.01355 0.40715 4.02685
144 3L9W AMP 0.002577 0.40346 4.02685
145 3CTY FAD 0.00736 0.4001 4.02685
146 1C3M MAN MAN 0.02165 0.41842 4.08163
147 1SNY NAP 0.00000006192 0.55508 4.11985
148 2BKA NDP 0.00008239 0.46606 4.13223
149 2PK3 A2R 0.00001037 0.53956 4.36242
150 5LFV SIA GAL NAG 0.02387 0.41122 4.36242
151 4J36 FAD 0.002143 0.40905 4.36242
152 5UAV NDP 0.001205 0.40382 4.36242
153 4J36 1HR 0.006157 0.40223 4.36242
154 1EJ0 SAM 0.002425 0.43796 4.44444
155 1WP4 NDP 0.001776 0.41756 4.49827
156 2FF6 ATP 0.008039 0.41107 4.66667
157 1Y1P NMN AMP PO4 0.00007021 0.48866 4.69799
158 1DSS NAD 0.0009949 0.43364 4.69799
159 3MN9 ATP 0.009062 0.40875 4.69799
160 3MN6 ATP 0.008938 0.40597 4.69799
161 2A40 ATP 0.005355 0.41894 5
162 4GLL NAD 0.000006551 0.50175 5.03356
163 1ORR NAD 0.000008494 0.4846 5.03356
164 1RPN NDP 0.00002007 0.45904 5.03356
165 1RJD SAM 0.004425 0.41932 5.03356
166 3CIF NAD 0.0008724 0.41488 5.03356
167 1HYE NAP 0.004453 0.41299 5.03356
168 5KOH HCA 0.03375 0.41192 5.03356
169 5MQ6 NDP 0.008559 0.40104 5.03356
170 3AB4 THR 0.03731 0.40279 5.05618
171 4RDH AMP 0.001164 0.461 5.20833
172 4RDI ATP 0.002793 0.43517 5.20833
173 1R6N 434 0.03774 0.40739 5.21327
174 3RFV NAI 0.00002916 0.48735 5.24345
175 3RFV 15L 0.0003581 0.44813 5.24345
176 3MN5 ATP 0.009139 0.40555 5.26316
177 4NEC SAH 0.01874 0.40377 5.30303
178 4R1S NAP 0.00001125 0.5079 5.36913
179 2P41 SAH 0.005324 0.42245 5.36913
180 1YS4 NAP 0.005844 0.41097 5.36913
181 4OOE NDP 0.004117 0.40591 5.36913
182 4HY1 19X 0.0397 0.40136 5.36913
183 1GXU 2HP 0.03469 0.40129 5.49451
184 2HMT NAI 0.00003186 0.5078 5.55556
185 4K28 NAD 0.001655 0.42468 5.57621
186 5L53 NAP 0.0000008395 0.57532 5.7047
187 2FR1 NDP 0.000003366 0.50469 5.7047
188 5THY SAH 0.002538 0.42986 5.7047
189 2C5A NAD 0.000002697 0.4233 5.7047
190 2C5A GDC 0.000002697 0.4233 5.7047
191 3I6I NDP 0.0001486 0.41871 5.7047
192 3CMC NAD 0.006903 0.41533 5.7047
193 5JE8 NAD 0.002926 0.41466 5.7047
194 4D79 ATP 0.0007314 0.46158 5.7971
195 3EVG SAH 0.004419 0.42612 5.81818
196 1A27 NAP 0.00000001789 0.60101 5.88235
197 3C3Y SAH 0.00569 0.41777 5.90717
198 1BXK NAD 0.00000181 0.5298 6.04027
199 4U7W NDP 0.000006856 0.51194 6.04027
200 1ZBQ NAD 0.000002158 0.51177 6.04027
201 4PIV NDP 0.00002894 0.47599 6.04027
202 3ICS ADP 0.005065 0.43893 6.04027
203 3ICT ADP 0.005713 0.43634 6.04027
204 5H81 NAP 0.002789 0.42474 6.04027
205 2DFV NAD 0.001444 0.42109 6.04027
206 2HK9 ATR 0.0003329 0.50325 6.18182
207 2HK9 NAP 0.002746 0.41292 6.18182
208 1GZ6 NAI 0.00000917 0.49455 6.37584
209 5FI3 NAP 0.0006448 0.42873 6.37584
210 3ULK NDP 0.007286 0.40686 6.37584
211 1QO8 FAD 0.004629 0.40613 6.37584
212 2VYN NAD 0.004249 0.4002 6.37584
213 3WV8 ATP 0.01021 0.40644 6.42202
214 4OSP NAP 0.0000002122 0.56559 6.46388
215 2DBZ NAP 0.001938 0.40258 6.58683
216 1N5D NDP 0.00000002746 0.58841 6.59722
217 3GU3 SAH 0.01538 0.41886 6.69014
218 4ZRN NAD 0.000002133 0.4998 6.71141
219 2NVK NAP 0.01859 0.423 6.71141
220 4ZRN UPG 0.000009389 0.42064 6.71141
221 1UAY ADN 0.003374 0.44329 7.02479
222 1XG5 NAP 0.00000002999 0.58699 7.16846
223 4KWI NAP 0.0000001929 0.50166 7.22433
224 4KWI 1TJ 0.0000002121 0.49536 7.22433
225 2YVJ NAI 0.01554 0.40126 7.33945
226 4OEV OXL 0.01752 0.42663 7.38255
227 3NJ4 AFX 0.02542 0.40973 7.38255
228 2D2I NAP 0.00456 0.40964 7.38255
229 3NJ4 NAD 0.03274 0.40483 7.38255
230 3LQV ADE 0.01475 0.41337 7.69231
231 2PZM NAD 0.00002052 0.49896 7.71812
232 2PZM UDP 0.00002052 0.49896 7.71812
233 1EQ2 NAP 0.0001165 0.45682 7.71812
234 4D3F NAP 0.0009816 0.44414 7.71812
235 3UOY NAP 0.01393 0.4033 7.71812
236 1ZQ9 SAM 0.009889 0.41021 7.7193
237 1LSS NAD 0.005261 0.41604 7.85714
238 4CBX ATP 0.009384 0.40807 7.87402
239 1U7T NAD 0.0000004261 0.55911 8.04598
240 1U7T TDT 0.0000001883 0.49971 8.04598
241 5L4L NAP 0.000135 0.47267 8.05369
242 9LDB NAD 0.001162 0.41634 8.05369
243 4PKI ATP 0.006328 0.41571 8.05369
244 9LDT NAD 0.001216 0.41561 8.05369
245 3MB5 SAM 0.007515 0.40342 8.23529
246 3KO8 NAD 0.0000008268 0.52659 8.38926
247 1QH8 HCA 0.01712 0.42977 8.38926
248 1H2B NAJ 0.001463 0.40424 8.38926
249 2F1K NAP 0.001298 0.42587 8.60215
250 3LN9 FLC 0.0231 0.43346 8.63309
251 1LLU NAD 0.0005024 0.41666 8.72483
252 2XYQ SAH 0.004043 0.42788 9.01639
253 1LOJ U 0.04379 0.40445 9.1954
254 1QMG DMV 0.04901 0.40187 9.39597
255 3RKR NAP 0.00005286 0.5437 9.54198
256 4ETZ C2E 0.02418 0.41913 9.76431
257 5IN4 NAP 0.0003133 0.50678 10.0671
258 5IN4 6CK 0.0003152 0.50631 10.0671
259 5IN4 GDP 0.0003338 0.50446 10.0671
260 3A4V NAD 0.000002479 0.48814 10.0671
261 3A4V PYR 0.000002479 0.48814 10.0671
262 1R18 SAH 0.007735 0.40575 10.1322
263 5JAQ NAI 0.000004016 0.46855 10.4027
264 1MO9 KPC 0.012 0.41204 10.4027
265 2DT5 NAD 0.001845 0.41415 10.4265
266 1W7J ADP BEF 0.01499 0.40511 10.596
267 2X6T NAP 0.00009095 0.46089 10.6443
268 1WDK NAD 0.002542 0.42323 10.7383
269 3QV1 NAD 0.001207 0.43024 10.9792
270 2DTX BMA 0.0000001747 0.51124 10.9848
271 1P77 ATR 0.001211 0.48628 11.0294
272 3O26 NDP 0.00000001221 0.59648 11.0738
273 3SJ0 DXC 0.0239 0.41462 11.2676
274 1KYQ NAD 0.004066 0.43144 11.3139
275 1OAA OAA 0.00000001354 0.52085 11.583
276 4E5N NAD 0.001477 0.41246 11.745
277 1DJN ADP 0.004927 0.41114 12.4161
278 1O94 ADP 0.005911 0.40499 12.4161
279 4NAE 1GP 0.02425 0.4177 12.4444
280 3CH6 NAP 0.0000004939 0.42131 12.5874
281 3CH6 311 0.0000004939 0.42131 12.5874
282 4OKD GLC GLC GLC 0.03343 0.41092 12.7517
283 1X9I G6Q 0.02078 0.40846 12.7517
284 4EUE NAI 0.00000000736 0.6014 13.0872
285 4K26 NDP 0.0000002278 0.55424 13.4058
286 4K26 SFF 0.000000383 0.49867 13.4058
287 2PBD ATP 0.00761 0.41214 13.6691
288 4PL8 ATP 0.00798 0.41122 13.6986
289 2I3G NAP 0.0007941 0.42249 14.094
290 3ICC NAP 0.00000004777 0.57189 15.2941
291 5L4S NAP 0.00000004691 0.54042 15.4362
292 5L4S 6KX 0.00000004691 0.54042 15.4362
293 1MXH NAP 0.000008031 0.50798 15.5797
294 1MXH DHF 0.000009014 0.50605 15.5797
295 1Z82 NDP 0.003047 0.40839 15.7718
296 2RH4 EMO 0.000000265 0.47893 15.8845
297 5GT9 NAP 0.0000002373 0.55358 15.9696
298 3SJU NDP 0.000000007532 0.60931 16.129
299 2WK1 SAH 0.008828 0.40621 16.3121
300 1Z6Z NAP 0.00000002114 0.58761 16.443
301 4J7U YTZ 0.00000001525 0.52448 16.443
302 4J7U NAP 0.00000001525 0.52448 16.443
303 1OFU GDP 0.008747 0.40944 16.8067
304 1OMO NAD 0.002014 0.42429 17.1141
305 1MUU NAD 0.00586 0.40242 17.4497
306 1MV8 NAD 0.00417 0.40569 17.7852
307 3AY6 NAI 0.00000002399 0.54827 17.8439
308 3AY6 BGC 0.00000008438 0.47209 17.8439
309 1GEE NAD 0.0000001362 0.56768 18.0077
310 2DKN NAI 0.00000002005 0.60497 18.0392
311 1O5I NAD 0.00005018 0.50912 18.4739
312 1FK8 NAD 0.000001306 0.55029 19.4553
313 1IY8 NAD 0.0000001141 0.5654 19.4757
314 1ZK4 NAP 0.000001079 0.5002 19.5219
315 3HB5 NAP 0.0000001031 0.47502 20.1835
316 2A3Z ATP 0.006457 0.41532 20.6897
317 1UZN NAP 0.00001865 0.41856 21.4575
318 1BW9 NAD 0.005141 0.41336 22.4832
319 1C1X NAD 0.003455 0.40894 22.4832
320 3TN7 NJP 0.00000004832 0.57929 22.5681
321 2GDZ NAD 0.00000001468 0.59392 23.5955
322 1XSE NDP 0.0000000607 0.51864 23.7288
323 3V1U NAD 0.0000003917 0.57146 26.1745
324 3GEG NAD 0.000001038 0.54399 27.1255
325 3H4V NAP 0.0000078 0.44942 27.4306
326 3H4V DVP 0.000006175 0.44849 27.4306
327 2CFC NAD 0.0000002001 0.56656 27.6
328 2AG5 NAD 0.0000001586 0.56518 27.6423
329 4CLO NAP 0.000001557 0.53711 28.1879
330 3JQA NAP 0.000001804 0.53461 28.1879
331 5JDI NAP 0.000001476 0.53321 28.1879
332 3JQB NAP 0.000002208 0.53117 28.1879
333 3JQG NAP 0.00000222 0.53108 28.1879
334 4CM4 NAP 0.000001721 0.53064 28.1879
335 5JDC NAP 0.000001758 0.53029 28.1879
336 4CM8 NAP 0.000001805 0.52984 28.1879
337 3BMO NAP 0.000001856 0.52938 28.1879
338 4CLR NAP 0.000001893 0.52905 28.1879
339 4CME NAP 0.000001904 0.52895 28.1879
340 3BMQ NAP 0.000001447 0.52889 28.1879
341 5JCJ NAP 0.000001914 0.52887 28.1879
342 3JQ9 NAP 0.000001668 0.52655 28.1879
343 4CM9 NAP 0.000001703 0.52621 28.1879
344 4CMI NAP 0.000002511 0.52433 28.1879
345 3JQ8 NAP 0.000002124 0.52258 28.1879
346 3JQF NAP 0.000002254 0.5216 28.1879
347 3BMN NAP 0.000002265 0.52153 28.1879
348 5K6A NAP 0.000002167 0.51396 28.1879
349 3JQ7 NAP 0.000006828 0.51201 28.1879
350 2ZAT NAP 0.00000008978 0.57453 28.8462
351 4O0L NDP 0.00000006375 0.57481 29.4545
352 3U4C NDP 0.00002371 0.48685 29.5374
353 1XHL NDP 0.00000001922 0.59639 30.303
354 3VZS NAP 0.000001514 0.45958 30.3502
355 2BGM NAJ 0.00000008262 0.55118 30.5755
356 1GEG NAD 0.00000003996 0.58782 30.8594
357 5EPO NAP 0.000001967 0.52384 30.916
358 1XKQ NDP 0.00000002095 0.57734 31.0714
359 4FN4 NAD 0.000000009134 0.61205 31.1024
360 2WD7 NAP 0.000001685 0.531 31.3433
361 1JA9 NDP 0.0000001583 0.56218 31.3869
362 4YAG NAI 0.00000006558 0.5053 31.4879
363 3A28 NAD 0.00000007136 0.5783 31.7829
364 3QWI CUE 0.000000495 0.5591 31.8519
365 3QWI NAP 0.0000002393 0.55547 31.8519
366 1AE1 NAP 0.000000003877 0.62465 32.2344
367 4QED NAP 0.000000461 0.54767 32.2581
368 4NBW NAD 0.0000007138 0.52499 33.463
369 1PR9 NAP 0.000000003979 0.62423 33.6066
370 3D3W NAP 0.000000003808 0.60345 33.6066
371 4CQM NAP 0.0000000781 0.57681 34.0164
372 1Q7B NAP 0.000001385 0.52961 35.6557
373 5ITV NAI 0.00000004326 0.58107 35.6863
374 1G0N PHH 0.0000003099 0.56699 37.4558
375 1G0N NDP 0.0000004071 0.55762 37.4558
376 3O03 NAP 0.0000004188 0.56475 38.488
377 1YXM ADE 0.0000244 0.59242 38.5906
378 2B4Q NAP 0.0000001026 0.57233 38.7681
379 1W73 NAP 0.00000004032 0.61793 40.604
380 1W8D NAP 0.00000006012 0.61078 40.604
381 1W6U NAP 0.00000002265 0.62825 40.9396
382 1H5Q NAP 0.0000002247 0.55446 42.2642
383 4FC7 COA 0.00000009366 0.50084 44.0433
384 4FC7 NAP 0.00000009366 0.50084 44.0433
385 1VL8 NAP 0.00000002224 0.57594 47.5655
Pocket No.: 2; Query (leader) PDB : 4Q9N; Ligand: NAI; 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: 4q9n.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4Q9N; Ligand: NAI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4q9n.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4Q9N; Ligand: 0WE; Similar sites found: 12
This union binding pocket(no: 4) in the query (biounit: 4q9n.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4K7O EKZ 0.03691 0.40138 None
2 3TTM PUT 0.01284 0.41568 4.36242
3 1A99 PUT 0.02295 0.40142 4.69799
4 4IGH 1EA 0.0368 0.41654 6.37584
5 4IGH FMN 0.0368 0.41654 6.37584
6 4IGH ORO 0.0368 0.41654 6.37584
7 4ORM ORO 0.01372 0.43851 8.72483
8 4ORM 2V6 0.01372 0.43851 8.72483
9 4ORM FMN 0.01372 0.43851 8.72483
10 2FAH MLA 0.01537 0.4055 9.0604
11 5CK5 GDP 0.0134 0.40399 13.7584
12 2BCG GER 0.0152 0.40131 26.699
Pocket No.: 5; Query (leader) PDB : 4Q9N; Ligand: 0WE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4q9n.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4Q9N; Ligand: 0WE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4q9n.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4Q9N; Ligand: NAI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4q9n.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4Q9N; Ligand: 0WE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4q9n.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4Q9N; Ligand: 0WE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4q9n.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4Q9N; Ligand: 0WE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4q9n.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4Q9N; Ligand: 0WE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 4q9n.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 4Q9N; Ligand: NAI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4q9n.bio2) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 4Q9N; Ligand: NAI; Similar sites found: 45
This union binding pocket(no: 13) in the query (biounit: 4q9n.bio2) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4R5M NAP 0.003942 0.40145 1.34228
2 4LWP SAH 0.01324 0.40443 2.01342
3 1WPQ NAD 0.007126 0.4044 2.01342
4 2VT3 ATP 0.0009092 0.47585 2.32558
5 3SJH ATP 0.00708 0.4104 2.68456
6 5H06 MAL 0.0417 0.40174 2.68456
7 1NVM NAD 0.003149 0.40022 2.68456
8 1TI7 NAP 0.006863 0.41099 3.02013
9 2UYQ SAM 0.03583 0.40778 3.02013
10 2B4R AES 0.003612 0.40042 3.02013
11 4GK9 MAN BMA MAN MAN MAN 0.03475 0.42572 3.22581
12 5ULP KB1 0.006347 0.40371 3.35821
13 1NVT NAP 0.004413 0.41023 3.48432
14 1YVZ JPC 0.03796 0.40907 3.69128
15 1TZD ADP 0.02084 0.42142 4
16 1T44 ATP 0.006576 0.41497 4.08163
17 5UAV TFB 0.001115 0.40119 4.36242
18 2FF3 ATP 0.004075 0.42423 4.66667
19 5FTW SAH 0.01206 0.40027 4.6875
20 1I36 NAP 0.00099 0.44398 4.92424
21 3GCZ SAM 0.008288 0.4137 4.96454
22 2D1K ATP 0.006724 0.41453 5
23 3PT9 SAH 0.00866 0.41283 5.03356
24 3BRN SRO 0.03652 0.40767 5.09554
25 1CF2 NAP 0.0009438 0.40575 5.7047
26 1I4D GDP 0.03566 0.40383 5.80357
27 4N9Z V3L 0.03635 0.40626 6.04027
28 4XDY NAI 0.005626 0.4005 6.04027
29 1NC4 DOF 0.02778 0.41457 6.78733
30 2XVM SAH 0.001647 0.45835 7.03518
31 4WES HCA 0.02741 0.41326 7.04698
32 1ZH8 NAP 0.003192 0.4076 7.04698
33 4XB2 HSE 0.003292 0.40079 8.38926
34 4II2 ATP 0.01141 0.40132 8.43373
35 3MN7 ATP 0.009642 0.40164 10.2041
36 5MWE TCE 0.04893 0.40028 11.4286
37 5F8F SFG 0.02022 0.40219 12.4161
38 2DC1 NAD 0.004909 0.40028 12.7119
39 3GP3 SEP 0.02746 0.4098 12.8405
40 3U4L ATP 0.005005 0.41698 13.5714
41 3O7W SAM 0.005227 0.43408 13.9456
42 1LK7 DER 0.03059 0.40006 15.2838
43 1T36 ORN 0.02922 0.41242 15.7718
44 2P3I MNA 0.01661 0.42908 16.1491
45 5JDI 6JO 0.04652 0.40215 28.1879
Pocket No.: 14; Query (leader) PDB : 4Q9N; Ligand: NAI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 4q9n.bio2) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 4Q9N; Ligand: NAI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 4q9n.bio2) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 4Q9N; Ligand: 0WE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 4q9n.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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