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Receptor
PDB id Resolution Class Description Source Keywords
1RV1 2.3 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF HUMAN MDM2 WITH AN IMIDAZOLINE INHIBITOR HOMO SAPIENS MDM2 P53 PROTEIN-PROTEIN INTERACTION LIGASE
Ref.: IN VIVO ACTIVATION OF THE P53 PATHWAY BY SMALL-MOLECULE ANTAGONISTS OF MDM2. SCIENCE V. 303 844 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IMZ A:110;
A:111;
B:110;
B:111;
C:110;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
ic50 = 0.14 uM
686.434 C31 H34 Br2 N4 O4 CCOc1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RV1 2.3 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF HUMAN MDM2 WITH AN IMIDAZOLINE INHIBITOR HOMO SAPIENS MDM2 P53 PROTEIN-PROTEIN INTERACTION LIGASE
Ref.: IN VIVO ACTIVATION OF THE P53 PATHWAY BY SMALL-MOLECULE ANTAGONISTS OF MDM2. SCIENCE V. 303 844 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 36 families.
1 1RV1 ic50 = 0.14 uM IMZ C31 H34 Br2 N4 O4 CCOc1cc(cc....
70% Homology Family (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 3JZK ic50 = 1.23 uM YIN C24 H16 Br2 N4 O c1ccc2c(c1....
2 4JV7 ic50 = 1 uM 1MN C24 H21 Br2 N O2 CN1[C@@H](....
3 4JVR ic50 = 9.4 nM 1MT C25 H29 Cl2 F N4 O2 CC(C)(C)C[....
4 5LN2 ic50 = 0.13 nM 6ZT C32 H34 Cl2 N4 O3 Cc1cc(ccc1....
5 4ZFI Kd = 0.5 uM 4NJ C27 H21 Cl3 N2 O2 CN1C(=O)C(....
6 4ZYF Ki = 1.3 nM 4T4 C38 H47 Cl N4 O4 CC(C)Oc1cc....
7 4DIJ ic50 = 0.03 uM BLF C31 H29 Cl2 N5 O2 c1ccc(cc1)....
8 4ZYI ic50 = 0.008 uM 4TH C33 H34 Cl N3 O3 CC[C@@H](C....
9 5HMH ic50 = 0.007 uM 62R C35 H38 F6 N4 O6 S CCC[C@@H]1....
10 4OAS Kd = 0.045 nM 2SW C28 H35 Cl2 N O5 S CC[C@@H](C....
11 4ERF ic50 = 1.1 nM 0R3 C25 H29 Cl2 N O4 CC[C@@H]([....
12 4ZYC ic50 = 0.38 uM 4SS C28 H28 Cl N5 O4 CCOc1cc2c(....
13 4OCC ic50 = 2 nM 2TZ C26 H31 Cl2 N O6 S CC[C@@H](C....
14 3LBL Ki = 36 nM MI6 C29 H35 Cl2 F N4 O3 CC(C)(C)C[....
15 4MDN Ki = 0.6 uM Y30 C30 H29 Cl2 N3 O5 CC(C)(C)NC....
16 5OC8 - 9QW C26 H24 Cl2 N6 O4 CC(C)n1c2c....
17 6I3S - H28 C23 H18 Cl2 F N3 O2 c1cc(c(c(c....
18 5HMI ic50 = 0.015 uM 62T C33 H36 F6 N4 O5 S CCC[C@@H]1....
19 4MDQ Ki = 1.2 uM 28W C24 H28 Cl N5 O5 CC(C)C[C@@....
20 4HG7 ic50 = 90 nM NUT C30 H30 Cl2 N4 O4 CC(C)Oc1cc....
21 3W69 ic50 = 8.3 nM LTZ C36 H43 Cl2 N5 O3 S CC[C@@H]1C....
22 4OQ3 ic50 = 0.008 uM 2V8 C24 H18 Cl2 N2 O2 Cc1cccc(c1....
23 4JV9 ic50 = 1.8 uM 1MO C24 H21 Cl2 N O2 CN1[C@@H](....
24 4QOC ic50 = 0.12 nM 35T C29 H34 Cl2 N2 O5 S C[C@@]1(C[....
25 4OGV ic50 = 9 nM 2U7 C26 H31 Cl2 N O6 S CC[C@@H](C....
26 4ZGK Kd = 3.1 uM 4NX C26 H18 Cl3 N O3 c1cc(ccc1C....
27 4OBA ic50 = 0.4 nM 2TW C27 H31 Cl2 N O6 S CC(C)(C)S(....
28 4JVE ic50 = 0.086 uM 1MQ C28 H24 Cl2 F N O4 C/C=C/[C@H....
29 4JWR ic50 = 0.61 uM 1MY C22 H23 Cl2 N O5 CC[C@@H](C....
30 6GGN ic50 = 0.08 nM EYH C28 H27 Cl2 N5 O3 Cc1ccc(cc1....
31 4ERE ic50 = 4.2 nM 0R2 C27 H31 Cl2 N O5 CC[C@@H](C....
32 4QO4 ic50 = 0.005 uM 35S C31 H32 Cl2 N2 O3 CC[C@@H](c....
33 4LWU ic50 = 0.005 uM 20U C30 H29 Cl2 F N4 O3 CC(C)(C)C[....
34 4LWV ic50 = 7 nM 20W C29 H29 Cl2 F N4 O4 S CC(C)(C)C[....
35 4J74 Kd = 26 uM I18 C16 H14 Cl2 N2 CC1=N[C@H]....
36 4IPF ic50 = 18 nM 1F0 C38 H48 Cl2 N4 O4 S CCOc1cc(cc....
37 4J7D Kd = 20 uM I31 C29 H32 Cl2 N2 O CCOc1cc(cc....
38 4J3E ic50 = 0.088 uM NUT C30 H30 Cl2 N4 O4 CC(C)Oc1cc....
39 4JSC ic50 = 56 nM 1OY C27 H31 Cl2 F2 N3 O3 CC(C)(C)C[....
40 4JRG ic50 = 196 nM I09 C27 H33 Cl2 N3 O3 CC(C)(C)C[....
41 4J7E Kd = 14 uM I29 C27 H34 Cl2 N4 O3 S CC1=N[C@@]....
42 4LWT ic50 = 3.9 uM 20Q C22 H22 Cl2 N2 O2 CC(=O)N1CC....
43 5J7F - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
44 4HBM Kd = 8.2 nM 0Y7 C23 H25 Cl2 N O4 CC[C@@H](C....
45 3TU1 Ki = 0.25 uM 07G C23 H21 Cl F2 N3 O4 CC(C)(C)NC....
46 2AXI ic50 = 140 nM PRO PHE GLU 6CW LEU ASP TRP GLU PHE DPR n/a n/a
47 5J7G - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
48 1T4F - ARG PHE MET ASP TYR TRP GLU GLY LEU n/a n/a
49 2GV2 ic50 = 5 nM ACE PHE MET AIB PM3 6CW GLU 1AC LEU n/a n/a
50 5HMK ic50 = 0.04 uM 62Q C35 H38 F6 N4 O5 CCC[C@@H]1....
51 5TRF Ki = 0.88 nM 7HC C29 H34 Cl2 F N3 O3 CC(C)(C)C[....
52 4WT2 Kd = 39 pM 3UD C37 H41 Cl2 F N2 O7 S C[C@@]1(C[....
53 4OGT ic50 = 0.1 nM 2U6 C33 H36 Cl2 N2 O6 S C[C@]1(C(=....
54 1RV1 ic50 = 0.14 uM IMZ C31 H34 Br2 N4 O4 CCOc1cc(cc....
55 4ODF ic50 = 0.1 nM 2U1 C33 H36 Cl2 N2 O6 S C[C@@]1(C(....
56 4ODE ic50 = 0.1 nM 2U0 C33 H37 Cl2 F N2 O5 S2 C[C@@]1(C[....
57 4OGN ic50 = 0.1 nM 2U5 C34 H38 Cl2 N2 O5 S C[C@@]1(C[....
50% Homology Family (60)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 3JZK ic50 = 1.23 uM YIN C24 H16 Br2 N4 O c1ccc2c(c1....
2 4JV7 ic50 = 1 uM 1MN C24 H21 Br2 N O2 CN1[C@@H](....
3 4JVR ic50 = 9.4 nM 1MT C25 H29 Cl2 F N4 O2 CC(C)(C)C[....
4 5LN2 ic50 = 0.13 nM 6ZT C32 H34 Cl2 N4 O3 Cc1cc(ccc1....
5 4ZFI Kd = 0.5 uM 4NJ C27 H21 Cl3 N2 O2 CN1C(=O)C(....
6 4ZYF Ki = 1.3 nM 4T4 C38 H47 Cl N4 O4 CC(C)Oc1cc....
7 4DIJ ic50 = 0.03 uM BLF C31 H29 Cl2 N5 O2 c1ccc(cc1)....
8 4ZYI ic50 = 0.008 uM 4TH C33 H34 Cl N3 O3 CC[C@@H](C....
9 5HMH ic50 = 0.007 uM 62R C35 H38 F6 N4 O6 S CCC[C@@H]1....
10 4OAS Kd = 0.045 nM 2SW C28 H35 Cl2 N O5 S CC[C@@H](C....
11 4ERF ic50 = 1.1 nM 0R3 C25 H29 Cl2 N O4 CC[C@@H]([....
12 4ZYC ic50 = 0.38 uM 4SS C28 H28 Cl N5 O4 CCOc1cc2c(....
13 4OCC ic50 = 2 nM 2TZ C26 H31 Cl2 N O6 S CC[C@@H](C....
14 3LBL Ki = 36 nM MI6 C29 H35 Cl2 F N4 O3 CC(C)(C)C[....
15 4MDN Ki = 0.6 uM Y30 C30 H29 Cl2 N3 O5 CC(C)(C)NC....
16 5OC8 - 9QW C26 H24 Cl2 N6 O4 CC(C)n1c2c....
17 6I3S - H28 C23 H18 Cl2 F N3 O2 c1cc(c(c(c....
18 5HMI ic50 = 0.015 uM 62T C33 H36 F6 N4 O5 S CCC[C@@H]1....
19 4MDQ Ki = 1.2 uM 28W C24 H28 Cl N5 O5 CC(C)C[C@@....
20 4HG7 ic50 = 90 nM NUT C30 H30 Cl2 N4 O4 CC(C)Oc1cc....
21 3W69 ic50 = 8.3 nM LTZ C36 H43 Cl2 N5 O3 S CC[C@@H]1C....
22 4OQ3 ic50 = 0.008 uM 2V8 C24 H18 Cl2 N2 O2 Cc1cccc(c1....
23 4JV9 ic50 = 1.8 uM 1MO C24 H21 Cl2 N O2 CN1[C@@H](....
24 4QOC ic50 = 0.12 nM 35T C29 H34 Cl2 N2 O5 S C[C@@]1(C[....
25 4OGV ic50 = 9 nM 2U7 C26 H31 Cl2 N O6 S CC[C@@H](C....
26 4ZGK Kd = 3.1 uM 4NX C26 H18 Cl3 N O3 c1cc(ccc1C....
27 4OBA ic50 = 0.4 nM 2TW C27 H31 Cl2 N O6 S CC(C)(C)S(....
28 4JVE ic50 = 0.086 uM 1MQ C28 H24 Cl2 F N O4 C/C=C/[C@H....
29 4JWR ic50 = 0.61 uM 1MY C22 H23 Cl2 N O5 CC[C@@H](C....
30 6GGN ic50 = 0.08 nM EYH C28 H27 Cl2 N5 O3 Cc1ccc(cc1....
31 4ERE ic50 = 4.2 nM 0R2 C27 H31 Cl2 N O5 CC[C@@H](C....
32 4QO4 ic50 = 0.005 uM 35S C31 H32 Cl2 N2 O3 CC[C@@H](c....
33 4LWU ic50 = 0.005 uM 20U C30 H29 Cl2 F N4 O3 CC(C)(C)C[....
34 4LWV ic50 = 7 nM 20W C29 H29 Cl2 F N4 O4 S CC(C)(C)C[....
35 4J74 Kd = 26 uM I18 C16 H14 Cl2 N2 CC1=N[C@H]....
36 4IPF ic50 = 18 nM 1F0 C38 H48 Cl2 N4 O4 S CCOc1cc(cc....
37 4J7D Kd = 20 uM I31 C29 H32 Cl2 N2 O CCOc1cc(cc....
38 4J3E ic50 = 0.088 uM NUT C30 H30 Cl2 N4 O4 CC(C)Oc1cc....
39 4JSC ic50 = 56 nM 1OY C27 H31 Cl2 F2 N3 O3 CC(C)(C)C[....
40 4JRG ic50 = 196 nM I09 C27 H33 Cl2 N3 O3 CC(C)(C)C[....
41 4J7E Kd = 14 uM I29 C27 H34 Cl2 N4 O3 S CC1=N[C@@]....
42 4LWT ic50 = 3.9 uM 20Q C22 H22 Cl2 N2 O2 CC(=O)N1CC....
43 5J7F - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
44 4HBM Kd = 8.2 nM 0Y7 C23 H25 Cl2 N O4 CC[C@@H](C....
45 3TU1 Ki = 0.25 uM 07G C23 H21 Cl F2 N3 O4 CC(C)(C)NC....
46 2AXI ic50 = 140 nM PRO PHE GLU 6CW LEU ASP TRP GLU PHE DPR n/a n/a
47 5J7G - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
48 1T4F - ARG PHE MET ASP TYR TRP GLU GLY LEU n/a n/a
49 3U15 ic50 = 41 nM 03M C20 H14 Cl F2 N3 O2 Cc1c(ccc2c....
50 3FE7 Kd = 75 nM ACE PHE MET AIB PM3 TRP GLU 1AC LEU NH2 n/a n/a
51 3FEA Kd = 36 nM ACE PHE MET AIB PM3 6CW GLU 1AC LEU NH2 n/a n/a
52 2GV2 ic50 = 5 nM ACE PHE MET AIB PM3 6CW GLU 1AC LEU n/a n/a
53 5HMK ic50 = 0.04 uM 62Q C35 H38 F6 N4 O5 CCC[C@@H]1....
54 5TRF Ki = 0.88 nM 7HC C29 H34 Cl2 F N3 O3 CC(C)(C)C[....
55 4WT2 Kd = 39 pM 3UD C37 H41 Cl2 F N2 O7 S C[C@@]1(C[....
56 4OGT ic50 = 0.1 nM 2U6 C33 H36 Cl2 N2 O6 S C[C@]1(C(=....
57 1RV1 ic50 = 0.14 uM IMZ C31 H34 Br2 N4 O4 CCOc1cc(cc....
58 4ODF ic50 = 0.1 nM 2U1 C33 H36 Cl2 N2 O6 S C[C@@]1(C(....
59 4ODE ic50 = 0.1 nM 2U0 C33 H37 Cl2 F N2 O5 S2 C[C@@]1(C[....
60 4OGN ic50 = 0.1 nM 2U5 C34 H38 Cl2 N2 O5 S C[C@@]1(C[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IMZ; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 IMZ 1 1
2 NUT 0.434426 0.858974
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RV1; Ligand: IMZ; Similar sites found with APoc: 25
This union binding pocket(no: 1) in the query (biounit: 1rv1.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4ITU NAI None
2 4WUJ FMN None
3 4R38 RBF None
4 2V2V V12 None
5 1FDQ HXA None
6 5SVV FMN None
7 4X7Q 3YR None
8 2PVN P63 2.55682
9 3ZS7 ATP 3.52941
10 3CY2 MB9 4.70588
11 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 5.88235
12 2E9L BGC 5.88235
13 2E9L PLM 5.88235
14 2E9L OLA 5.88235
15 3EWK FAD 8.23529
16 2P54 735 9.41177
17 1IYK MYA 9.41177
18 1ZK4 AC0 11.7647
19 1ZK4 NAP 11.7647
20 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 11.7647
21 5USZ SKE 11.7647
22 1TT8 PHB 14.1176
23 1DTL BEP 15.2941
24 2WU6 DKI 17.6471
25 6G33 5ID 21.1765
Pocket No.: 2; Query (leader) PDB : 1RV1; Ligand: IMZ; Similar sites found with APoc: 93
This union binding pocket(no: 2) in the query (biounit: 1rv1.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2AX9 BHM None
2 1UO4 PIH None
3 1MID LAP None
4 1UO5 PIH None
5 4UCC ZKW None
6 4XU6 TDA None
7 3BZ3 YAM None
8 3KPX CZH None
9 3WCA FPS None
10 3KP6 SAL None
11 5Y02 HBX None
12 4WG0 CHD None
13 1ZEI CRS None
14 5Z1N PEF 2.35294
15 5CHR 4NC 2.35294
16 4V24 GYR 2.35294
17 2YLD CMO 3.52941
18 1E4I NFG 3.52941
19 1T27 PCW 3.52941
20 2FR3 REA 3.52941
21 3SQP 3J8 3.52941
22 3GUZ PAF 3.52941
23 4UMJ BFQ 3.52941
24 5C1M OLC 4.70588
25 1R6N 434 4.70588
26 3HB5 NAP 4.70588
27 1NHZ 486 4.70588
28 3HB5 E2B 4.70588
29 4F4S EFO 5.26316
30 2GWH PCI 5.88235
31 4MNS 2AX 5.88235
32 5UC1 486 5.88235
33 4WGF HX2 5.88235
34 5KOR GDP 5.88235
35 3V66 D3A 7.05882
36 3NOJ PYR 7.05882
37 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 7.05882
38 6BR8 PGV 7.05882
39 3G5N PB2 7.05882
40 3D78 NBB 7.05882
41 6BR9 PGV 7.05882
42 3TDC 0EU 8.23529
43 2A1L PCW 8.23529
44 1XZ3 ICF 8.23529
45 3L9R L9R 8.23529
46 3B9Z CO2 9.41177
47 4JX1 CAH 9.41177
48 3HP9 CF1 9.41177
49 1JQ9 PHE LEU SER TYR LYS 9.41177
50 3ET1 ET1 9.41177
51 5W7B MYR 10.5882
52 3E70 GDP 10.5882
53 5C9J DAO 11.7647
54 5ISZ GLY ILE LEU GLY PHE VAL PHE THR LEU 11.7647
55 4WO4 JLS 12.9412
56 5OSW DIU 12.9412
57 1RJW ETF 12.9412
58 5LX9 OLB 12.9412
59 3OKI OKI 12.9412
60 3LN0 52B 12.9412
61 5DEY 59T 12.9412
62 5Z84 CHD 13.6986
63 2P4Y C03 15.2941
64 1UHK CZN 15.2941
65 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 15.2941
66 4MRP GSH 15.2941
67 3E8T UQ8 16.4706
68 4YSX E23 16.4706
69 2H7C COA 16.4706
70 3E7O 35F 16.4706
71 1EZV SMA 17.6471
72 3CX5 SMA 17.6471
73 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 17.6471
74 5IKH 6BW 17.6471
75 5JZI LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL 17.6471
76 2OBD PCW 18.8235
77 2BCG GER 20
78 4OGQ 2WD 20.5882
79 1LNX URI 20.9877
80 4P42 PEE 21.1765
81 4ORM 2V6 24.7059
82 4ORM FMN 24.7059
83 4ORM ORO 24.7059
84 1T0S BML 24.7059
85 5AAV GW5 25.8824
86 4TV1 36M 25.8824
87 3HYW DCQ 25.8824
88 4MG9 27K 25.8824
89 2QE4 JJ3 25.8824
90 1SR7 MOF 29.4118
91 4OAR 2S0 29.4118
92 2A06 SMA 30.5882
93 2XXP DSL 40
Pocket No.: 3; Query (leader) PDB : 1RV1; Ligand: IMZ; Similar sites found with APoc: 235
This union binding pocket(no: 3) in the query (biounit: 1rv1.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4YV5 SVR None
2 2QHD DAO None
3 5WZU 7W3 None
4 1S8G DAO None
5 2OBF F83 None
6 2EW5 Y12 None
7 5UI2 EQ3 None
8 5G3N X28 None
9 4OHU NAD None
10 4OHU 2TK None
11 2QZT PLM None
12 4JD3 COA None
13 4JD3 PLM None
14 2C9E PID None
15 5A8E XTK None
16 3AQT RCO None
17 1G27 BB1 None
18 4Y30 SAH None
19 5CSD ACD None
20 2FP2 TSA None
21 2QZZ NAP None
22 3W54 RNB None
23 3COW 52H None
24 2GJ3 FAD None
25 5UGW GSH None
26 1Z0S ATP None
27 1L6O SER LEU LYS LEU MET THR THR VAL None
28 4WRI OKA None
29 2FKW RG1 None
30 1L0I PSR None
31 4C0C WVH None
32 2QZZ EMF None
33 6CAY ERG None
34 4XRZ SI6 None
35 3FWN ATR None
36 3FWN 6PG None
37 5UWA 8ND None
38 1LBT T80 None
39 1LQY BB2 None
40 5V4R MGT None
41 1TMX HGX None
42 2VVT I24 None
43 3QKD HI0 None
44 5TVI MYR None
45 1SUW NAP None
46 1WS1 BB2 None
47 3RET PYR None
48 2O5L MNR 2.35294
49 1YOK P6L 2.35294
50 5DUF G7A 2.35294
51 5ESO ISC 2.35294
52 5ESO TDP 2.35294
53 4XRQ 1B0 3.52941
54 4LY9 1YY 3.52941
55 4LY9 S6P 3.52941
56 2XCG XCG 3.52941
57 6BMS PLM 3.52941
58 5N9T 8QQ 3.52941
59 2J8C U10 3.52941
60 2J8C SPO 3.52941
61 4KWD JF2 3.52941
62 4IA6 EIC 3.52941
63 2YIV YIV 3.52941
64 1NU4 MLA 3.52941
65 6B2M COA 3.52941
66 2V57 PRL 3.52941
67 4IBF 1D5 3.52941
68 5U6C 7YS 3.52941
69 1DGH NDP 3.52941
70 2IZ1 RES 3.52941
71 2Q7D ANP 3.52941
72 4YMU ARG 3.52941
73 4DR9 BB2 3.52941
74 2ZFZ ARG 3.79747
75 6G5J EM8 4.70588
76 5OWC AYZ 4.70588
77 6CR2 LFV 4.70588
78 3KMZ EQO 4.70588
79 2EVL GAL SPH EIC 4.70588
80 1S17 GNR 4.70588
81 3SHZ 5CO 4.70588
82 6CGN DA 4.70588
83 4P6X HCY 4.70588
84 2Q2Y MKR 5.88235
85 2Q2Y ADP 5.88235
86 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 5.88235
87 2C3Q GTX 5.88235
88 2X5W K2B 5.88235
89 5B4B LP5 5.88235
90 5E7V M7E 5.88235
91 5OM2 DXT 5.88235
92 3G4G D71 5.88235
93 1BW9 PPY 5.88235
94 4GFD 0YB 5.88235
95 3R1V AZB 5.88235
96 1C1X HFA 5.88235
97 3EWC MCF 5.88235
98 1QV1 CZH 7.05882
99 4G8R 96P 7.05882
100 5F2T PLM 7.05882
101 1JF0 CZH 7.05882
102 5AE2 FYC 7.05882
103 4RFM 3P6 7.05882
104 5APK 76E 7.05882
105 2I0G I0G 7.05882
106 2FDW D3G 7.05882
107 3AJH BL3 7.05882
108 3BP1 GUN 7.05882
109 4I53 1C1 7.05882
110 2YJD YJD 7.05882
111 5NM7 GLY 7.05882
112 4WPF 3SN 7.05882
113 3MDV CL6 7.05882
114 4G2R H1L 7.05882
115 1XW6 GSH 7.05882
116 8CAT NDP 7.05882
117 6C1S EFV 8.23529
118 4O4Z N2O 8.23529
119 1M13 HYF 8.23529
120 1RM6 PCD 8.23529
121 1IID NHM 8.23529
122 5KAU RHQ 8.23529
123 3KXC PLM 8.23529
124 5WIU AQD 8.23529
125 5B25 4QJ 8.23529
126 4BNU 9KQ 8.23529
127 3ROE THM 8.23529
128 5EXW 7DT 8.23529
129 2UXI G50 8.23529
130 4E2J MOF 8.23529
131 1GNI OLA 9.41177
132 3KDU NKS 9.41177
133 4ZBR NPS 9.41177
134 4ZBR DIF 9.41177
135 5W7D PX8 9.41177
136 2EV1 OLA 9.41177
137 3SP6 IL2 9.41177
138 2BJ4 OHT 9.41177
139 2NPA MMB 9.41177
140 1Z8O DEB 9.41177
141 3FEI CTM 9.41177
142 4RC8 STE 9.41177
143 4UWJ 7L5 9.41177
144 4UWJ MYA 9.41177
145 1P1M MET 9.41177
146 5BYK OAQ 9.41177
147 5BYK A3P 9.41177
148 1K7L 544 9.41177
149 6BYM HC3 9.41177
150 4QWT ACD 9.41177
151 3QLM PLM 9.41177
152 1XVB BHL 9.41177
153 3TGE TGE 9.41177
154 3BJE URA 9.41177
155 5LOF 70R 9.41177
156 2QBU SAH 9.41177
157 5N5U 7N8 9.41177
158 5V3Y 5V8 9.41177
159 5AE9 OKO 10.5882
160 5MU6 KFK 10.5882
161 5MU6 MYA 10.5882
162 5K52 OCD 10.5882
163 4YDQ ANP 10.5882
164 4YDQ HFG 10.5882
165 2ZCQ B65 10.5882
166 2YNC YNC 10.5882
167 3T6E UQ9 10.5882
168 1EWF PC1 10.5882
169 4K26 SFF 10.5882
170 4COL DTP 10.5882
171 2ZB3 NDP 10.5882
172 2QJY SMA 11.7647
173 3RUG DB6 11.7647
174 2E2R 2OH 11.7647
175 6B5Q PPI CZS 2KY MLY 1XY 11.7647
176 3QUZ QUV 11.7647
177 3GYT DL4 11.7647
178 4OIV XX9 12.9412
179 1DKF BMS 12.9412
180 2BIF BOG 12.9412
181 1P3D ANP 12.9412
182 3BJC WAN 12.9412
183 2HI4 BHF 12.9412
184 3BEJ MUF 12.9412
185 5ZCO TGL 13.6986
186 5Z84 TGL 13.6986
187 2DYR TGL 13.6986
188 2DYS TGL 13.6986
189 5ZCO PEK 13.6986
190 5L92 C0R 14.1176
191 5L92 MLA 14.1176
192 3P0K FAD 14.1176
193 1PZO CBT 14.1176
194 2FV5 541 14.1176
195 3UR0 SVR 14.1176
196 3FUR Z12 15.2941
197 3ET3 ET1 15.2941
198 2OKL BB2 15.2941
199 3B1M KRC 15.2941
200 2HFP NSI 15.2941
201 4ZE0 VOR 16.4706
202 1D6H COA 16.4706
203 2RH1 CAU 16.4706
204 1V0O INR 16.4706
205 3CXH SMA 17.6471
206 2IBZ SMA 17.6471
207 6GSG RCO 17.6471
208 1S16 ANP 17.6471
209 5AZC PGT 18.8235
210 1ZOA 140 18.8235
211 3U3U EAH 18.8235
212 6IIU A8X 18.8235
213 3H0A D30 18.8235
214 1RDT 570 18.8235
215 5FH7 5XL 18.8235
216 2B96 ANN 20
217 3T58 FAD 20
218 3TJH SER PRO LEU ASP SER LEU TRP TRP ILE 22.3529
219 5K53 STE 23.5294
220 5CX6 CDP 24.7059
221 4NKW PLO 24.7059
222 4V1T ADP 24.7059
223 4MGD 27N 25.8824
224 4MGA 27L 25.8824
225 2QZO KN1 25.8824
226 4HIA FMN 27.0588
227 3Q8G PEE 28.2353
228 4C2X NHW 29.4118
229 6FX0 E9T 31.7647
230 2D09 FLV 31.7647
231 3GKJ HC3 31.7647
232 4JR7 GNP 32.9412
233 3DLS ADP 35.2941
234 3E85 BSU 37.6471
235 5NNT DPV 43.2432
Pocket No.: 4; Query (leader) PDB : 1RV1; Ligand: IMZ; Similar sites found with APoc: 11
This union binding pocket(no: 4) in the query (biounit: 1rv1.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 3IPQ 965 None
2 1QD1 FON 3.52941
3 4DM8 REA 7.05882
4 2AK3 AMP 10.5882
5 3LXI CAM 11.7647
6 4RVG TYD 14.1176
7 4RVG SAM 14.1176
8 3G9E RO7 15.2941
9 4OGQ 7PH 20.5882
10 4OGQ 1O2 20.5882
11 5KD8 TNR 34.1176
Pocket No.: 5; Query (leader) PDB : 1RV1; Ligand: IMZ; Similar sites found with APoc: 171
This union binding pocket(no: 5) in the query (biounit: 1rv1.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 2QO4 CHD None
2 3IIS PID None
3 4WN5 MVC None
4 4NKT 2KH None
5 1UDY CS8 None
6 1HG4 LPP None
7 3L0E G58 None
8 5IVE 6E8 None
9 5M3Z NLE None
10 5M3Z PY6 None
11 1K7W AS1 None
12 1ESM COA None
13 1RC0 KT5 None
14 1D1G MTX None
15 4DK7 0KS None
16 2FTB OLA None
17 5M3Z PLP None
18 1MFI FHC None
19 4G9E C4L None
20 3KFC 61X None
21 3V78 ET None
22 5A4W QCT None
23 3QYY C2E None
24 5GM9 CBI None
25 3ANP DCC None
26 3P9T TCL None
27 4NAT 2W5 None
28 5N87 N66 None
29 3FSY SCA None
30 1UDY FAD None
31 5BVT PAM None
32 1BWO LPC None
33 3B6C SDN None
34 2ALG DAO None
35 5ICE 2H4 None
36 1ION ADP None
37 2GBB CIT None
38 4EKQ NPO None
39 3FPF TNA None
40 3FPF MTA None
41 1IND EOT None
42 1MT1 AG2 None
43 3L5R 47X 2.35294
44 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 2.35294
45 5UNJ RJW 2.35294
46 1ZDU P3A 2.35294
47 2PO3 T4K 2.35294
48 4IGQ THR M3L GLN 3.52941
49 2BTO GTP 3.52941
50 2WTN FER 3.52941
51 5Y72 DST 3.52941
52 2YOO K2B 3.52941
53 4ONA UW1 3.52941
54 4NE2 SH2 4.70588
55 4NE2 ADP 4.70588
56 3F7Z 34O 4.70588
57 5K13 6Q7 4.70588
58 3KMR EQN 4.70588
59 2JLD AG1 4.70588
60 1A27 EST 4.70588
61 5AG3 3EB 4.70588
62 3STD MQ0 4.70588
63 1HDC CBO 4.70588
64 4RZB NFQ 5.88235
65 3G58 988 5.88235
66 1QZR ANP 5.88235
67 5FM0 WAQ 5.88235
68 3D9F N6C 5.88235
69 3D9F FAD 5.88235
70 5LGD PLM 7.05882
71 1U3R 338 7.05882
72 5MW4 5JU 7.05882
73 5YAK FMN 7.05882
74 1G51 AMP 7.05882
75 2H21 SAM 7.05882
76 3OLL EST 7.05882
77 4ZVF GAV 7.05882
78 5NTW 98N 7.05882
79 3CB2 GDP 8.23529
80 5O1I 9GH 8.23529
81 5L7G 6QE 8.23529
82 1O5R FR9 8.23529
83 4H07 IPH 8.23529
84 6GL8 F3Q 8.23529
85 5IBE 69M 8.23529
86 3RY9 1CA 8.23529
87 3TKI S25 8.23529
88 2NNQ T4B 9.41177
89 5DY5 5GR 9.41177
90 2QM9 TDZ 9.41177
91 5IF4 6AK 9.41177
92 4ZBA GDS 9.41177
93 6ADI 9UO 9.41177
94 3IDB ANP 9.41177
95 5TBM 79A 9.41177
96 4OTH DRN 9.41177
97 1SC6 NAD 9.41177
98 4UCI GTP 9.41177
99 4WB7 ATP 9.41177
100 2YNE NHW 10.5882
101 2YNE YNE 10.5882
102 5D48 L96 10.5882
103 3OZV FAD 10.5882
104 2ATJ BHO 10.5882
105 4WEY EG6 10.5882
106 3KJD 78P 10.5882
107 3R9C ECL 11.7647
108 3VRY B43 11.7647
109 5I49 2KH 11.7647
110 3SQG TP7 11.7647
111 3QDJ ALA ALA GLY ILE GLY ILE LEU THR VAL 11.7647
112 1OPK P16 12.9412
113 1QXO FMN 12.9412
114 1IOW ADP 12.9412
115 1IOW PHY 12.9412
116 3C9U TPP 12.9412
117 4K49 HFQ 12.9412
118 2HK9 NAP 12.9412
119 5AX9 4KT 12.9412
120 2DYR PSC 13.6986
121 5Z84 PSC 13.6986
122 2DYS PSC 13.6986
123 5ZCO PSC 13.6986
124 6FS0 E4W 14.1176
125 1AUA BOG 14.1176
126 2QV6 GTP 14.1176
127 3GGF GVD 14.1176
128 1LVK MNT BEF 14.1176
129 3A1C ACP 15.2941
130 5TWO 7MV 15.2941
131 2PRG BRL 15.2941
132 1SO2 666 15.2941
133 3QCP FAD 15.2941
134 5ZKC 3C0 15.2941
135 4BCQ TJF 16.4706
136 4B7S QLE 16.4706
137 4LSJ LSJ 16.4706
138 4BCN T9N 16.4706
139 3RYC GDP 17.6471
140 4LNU GTP 17.6471
141 3RYC GTP 17.6471
142 5EIB GTP 17.6471
143 3RDE OYP 17.6471
144 1FM9 9CR 18.8235
145 3FAL REA 18.8235
146 4POJ 2VP 18.8235
147 4M8E 29V 18.8235
148 1RDT L79 18.8235
149 3FAL LO2 18.8235
150 3HX3 RET 18.8235
151 5J62 FMN 20
152 4NG2 OHN 21.1765
153 3MVH WFE 21.1765
154 3E2M E2M 21.1765
155 3KCC CMP 22.3529
156 3FWY ADP 22.3529
157 3GST GPR 23.5294
158 4EI7 GDP 24.7059
159 4MGB XDH 25.8824
160 4MG8 27J 25.8824
161 3UUA 0CZ 25.8824
162 4TUZ 36J 25.8824
163 4MG7 27H 25.8824
164 5DXE EST 25.8824
165 4A2B AGS 27.0588
166 1FCZ 156 27.0588
167 2F99 AKV 27.0588
168 4A2A ATP 27.0588
169 6F7L CWH 27.0588
170 4C2V YJA 29.4118
171 5I8F ML1 34.1176
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