Receptor
PDB id Resolution Class Description Source Keywords
5LCF 1.86 Å EC: 3.5.2.6 VIM-2 METALLO-BETA-LACTAMASE IN COMPLEX WITH 3-OXO-2- PHENYLISOINDOLINE-4-CARBOXYLIC ACID (COMPOUND 30) PSEUDOMONAS AERUGINOSA METALLO-BETA-LACTAMASE INHIBITOR COMPLEX ANTIBIOTIC RESISHYDROLASE
Ref.: NMR-FILTERED VIRTUAL SCREENING LEADS TO NON-METAL C METALLO-BETA-LACTAMASE INHIBITORS. CHEM SCI V. 8 928 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:506;
A:505;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ZN A:502;
A:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
6TJ A:504;
Valid;
none;
ic50 = 17.8 uM
253.253 C15 H11 N O3 c1ccc...
MG A:503;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FQC 1.45 Å EC: 3.5.2.6 CRYSTAL STRUCTURE OF THE METALLO-BETA-LACTAMASE VIM-2 WITH 2 PSEUDOMONAS AERUGINOSA HYDROLASE ANTIBIOTIC RESISTANCE
Ref.: STRUCTURAL BASIS OF METALLO-BETA-LACTAMASE, SERINE-BETA-LACTAMASE AND PENICILLIN-BINDING PROTEI INHIBITION BY CYCLIC BORONATES. NAT COMMUN V. 7 12406 2016
Members (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 48 families.
1 5N4T ic50 = 1.06 uM R59 C15 H18 N2 O3 S C[C@H](CS)....
2 6DD0 Ki = 3.3 uM P9T C10 H7 F2 O5 P c1c(cc(c2c....
3 5Y6D ic50 = 54.8 nM 8PL C12 H14 F N O3 S C[C@H](CS)....
4 6RPN ic50 = 0.2 uM KDZ C16 H16 B O5 S [B-]1([C@H....
5 5FQC ic50 = 0.003 uM OK3 C17 H18 B N2 O6 [B-]1([C@H....
6 6TM9 ic50 = 0.23 uM 9NW C16 H21 Cl2 N5 O2 S c1cc(c(cc1....
7 5NI0 ic50 = 1.8 uM 8XW C14 H21 O4 P S CC(=O)SC[C....
8 5NHZ ic50 = 4.7 uM 8XZ C13 H19 O4 P S CC(=O)SC[C....
9 6JN6 Ki = 0.07 uM BY0 C14 H18 B N O4 S B([C@@H](C....
10 2WHG - FLC C6 H5 O7 C(C(=O)[O-....
11 5LCA ic50 = 32.8 uM B06 C16 H10 F3 N O3 c1cc(cc(c1....
12 6EW3 ic50 = 0.04 uM S3C C9 H5 Cl3 O2 S c1cc(c(c(c....
13 6O5T Ki = 0.316 uM L8J C10 H8 Br2 N O4 P c1c(cc(c2c....
14 5LSC ic50 = 20 uM 752 C18 H13 N5 O3 S2 c1ccc(c(c1....
15 6HF5 ic50 = 6.7 uM G1N C9 H7 N3 O4 S2 c1cc(cnc1)....
16 5ACW Kd = 145 uM RHU C4 H4 F3 N3 S Cn1c(nnc1S....
17 5LM6 ic50 = 7.7 uM H32 C15 H10 F N O4 c1cc2c(c(c....
18 6TGI Ki = 41 uM N8Z C9 H12 Cl N5 S CCn1c(nnc1....
19 5Y6E ic50 = 13.7 nM 8PO C12 H15 N O4 S C[C@H](CS)....
20 5MXR ic50 = 6.2 uM JTY C10 H8 N2 O4 S2 c1ccc(cc1)....
21 6SP7 ic50 = 0.026 uM K9B C19 H29 B N3 O6 [B-]1([C@H....
22 5LCH ic50 = 20.3 uM 6TU C19 H17 N O4 COc1cccc(c....
23 5MXQ ic50 = 1.9 uM U8K C12 H10 N2 O4 S c1ccc(cc1)....
24 6J8R Ki = 0.76 uM BHU C5 H12 B N O3 S B(CNC(=O)[....
25 2YZ3 Ki = 220 nM M5P C12 H16 O2 S c1ccc(cc1)....
26 5MM9 ic50 = 0.38 uM 8SH C15 H25 O3 P S CCOP(=O)([....
27 6YRP Kd = 389 nM PJB C17 H16 N4 O4 S COc1ccc(c(....
28 6DD1 Ki = 22.3 uM M3Q C10 H10 N O3 P c1cc2cccnc....
29 6ZGM - QKK C12 H11 F2 N7 O5 S2 [H]/N=C(N)....
30 5ACX Kd = 9 uM WL3 C14 H9 F O3 c1ccc(c(c1....
31 5LCF ic50 = 17.8 uM 6TJ C15 H11 N O3 c1ccc(cc1)....
32 5N4S ic50 = 0.055 uM R38 C15 H18 N2 O3 S C[C@H](CS)....
33 6V1P - QNA C10 H9 B F O5 [B-]1([C@@....
70% Homology Family (37)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 5N4T ic50 = 1.06 uM R59 C15 H18 N2 O3 S C[C@H](CS)....
2 6DD0 Ki = 3.3 uM P9T C10 H7 F2 O5 P c1c(cc(c2c....
3 5Y6D ic50 = 54.8 nM 8PL C12 H14 F N O3 S C[C@H](CS)....
4 6RPN ic50 = 0.2 uM KDZ C16 H16 B O5 S [B-]1([C@H....
5 5FQC ic50 = 0.003 uM OK3 C17 H18 B N2 O6 [B-]1([C@H....
6 6TM9 ic50 = 0.23 uM 9NW C16 H21 Cl2 N5 O2 S c1cc(c(cc1....
7 5NI0 ic50 = 1.8 uM 8XW C14 H21 O4 P S CC(=O)SC[C....
8 5NHZ ic50 = 4.7 uM 8XZ C13 H19 O4 P S CC(=O)SC[C....
9 6JN6 Ki = 0.07 uM BY0 C14 H18 B N O4 S B([C@@H](C....
10 2WHG - FLC C6 H5 O7 C(C(=O)[O-....
11 5LCA ic50 = 32.8 uM B06 C16 H10 F3 N O3 c1cc(cc(c1....
12 6EW3 ic50 = 0.04 uM S3C C9 H5 Cl3 O2 S c1cc(c(c(c....
13 6O5T Ki = 0.316 uM L8J C10 H8 Br2 N O4 P c1c(cc(c2c....
14 5LSC ic50 = 20 uM 752 C18 H13 N5 O3 S2 c1ccc(c(c1....
15 6HF5 ic50 = 6.7 uM G1N C9 H7 N3 O4 S2 c1cc(cnc1)....
16 5ACW Kd = 145 uM RHU C4 H4 F3 N3 S Cn1c(nnc1S....
17 5LM6 ic50 = 7.7 uM H32 C15 H10 F N O4 c1cc2c(c(c....
18 6TGI Ki = 41 uM N8Z C9 H12 Cl N5 S CCn1c(nnc1....
19 5Y6E ic50 = 13.7 nM 8PO C12 H15 N O4 S C[C@H](CS)....
20 5MXR ic50 = 6.2 uM JTY C10 H8 N2 O4 S2 c1ccc(cc1)....
21 6SP7 ic50 = 0.026 uM K9B C19 H29 B N3 O6 [B-]1([C@H....
22 5LCH ic50 = 20.3 uM 6TU C19 H17 N O4 COc1cccc(c....
23 5MXQ ic50 = 1.9 uM U8K C12 H10 N2 O4 S c1ccc(cc1)....
24 6J8R Ki = 0.76 uM BHU C5 H12 B N O3 S B(CNC(=O)[....
25 2YZ3 Ki = 220 nM M5P C12 H16 O2 S c1ccc(cc1)....
26 5MM9 ic50 = 0.38 uM 8SH C15 H25 O3 P S CCOP(=O)([....
27 6YRP Kd = 389 nM PJB C17 H16 N4 O4 S COc1ccc(c(....
28 6DD1 Ki = 22.3 uM M3Q C10 H10 N O3 P c1cc2cccnc....
29 6ZGM - QKK C12 H11 F2 N7 O5 S2 [H]/N=C(N)....
30 5ACX Kd = 9 uM WL3 C14 H9 F O3 c1ccc(c(c1....
31 5LCF ic50 = 17.8 uM 6TJ C15 H11 N O3 c1ccc(cc1)....
32 5N4S ic50 = 0.055 uM R38 C15 H18 N2 O3 S C[C@H](CS)....
33 6V1P - QNA C10 H9 B F O5 [B-]1([C@@....
34 5N55 Kd = 1.03 uM 8NN C21 H16 Cl N3 O4 c1ccc2c(c1....
35 5N58 Kd = 0.8 uM 93W C21 H16 Cl N3 O4 c1ccc2c(c1....
36 5LE1 ic50 = 10.6 uM 6UW C16 H11 Cl F N O3 c1cc2c(c(c....
37 6TMC ic50 = 0.53 uM NL5 C14 H19 N3 O3 S CC(C)OCc1c....
50% Homology Family (108)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 1HLK Ki = 10 uM 113 C15 H14 O8 C[C@H]1CC2....
2 1KR3 Ki = 10 uM 113 C15 H14 O8 C[C@H]1CC2....
3 6D1H Ki = 190.2 uM KED C10 H10 N O4 P c1ccc2c(c1....
4 6V1M - QNA C10 H9 B F O5 [B-]1([C@@....
5 6OVZ - N9M C9 H9 N O5 c1ccc(cc1)....
6 6D1B Ki = 123.7 uM FUJ C11 H11 O6 P COc1ccc2c(....
7 6LJ6 ic50 = 11.1 uM EFF C10 H18 N2 O2 S C[C@H](CS)....
8 6LJ8 ic50 = 19.8 uM EG0 C11 H19 N O3 S C[C@H](CS)....
9 4RL0 - 3S0 C16 H18 N4 O9 S CO/N=C(/c1....
10 5O2E - 3S0 C16 H18 N4 O9 S CO/N=C(/c1....
11 5YPN - LMP C17 H27 N3 O6 S C[C@H]1[C@....
12 6NY7 - L8J C10 H8 Br2 N O4 P c1c(cc(c2c....
13 6LJ0 ic50 = 6.9 uM EER C10 H17 N O3 S C[C@H](CS)....
14 5YPK - HIW C12 H19 N3 O5 S [H]/N=CNCC....
15 5O2F - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
16 6D1E - XJE C12 H13 O6 P Cc1cc2c(c(....
17 6D1D Ki = 33.8 uM GTV C12 H13 O5 P Cc1cc(c2c(....
18 4RL2 - 3S3 C16 H20 N3 O5 S C[C@@H]1CS....
19 6RMF - K9B C19 H29 B N3 O6 [B-]1([C@H....
20 6EFJ Ki = 477 uM O5E C15 H14 N6 O c1ccc(cc1)....
21 6D1I Ki = 81 uM T6Z C11 H12 N O4 P CN1c2ccccc....
22 5YPI - 8YF C12 H19 N3 O5 S [H]/N=C/NC....
23 5ZGE - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
24 6LJ5 ic50 = 4.9 uM EF0 C10 H17 N O3 S C[C@H](CS)....
25 5ZGR - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
26 6LJ2 ic50 = 4.6 uM EKX C14 H17 N O3 S C[C@H](CS)....
27 6MDU Ki = 56 uM N1G C17 H13 N7 O c1ccc(cc1)....
28 5YPM - 8YL C17 H27 N3 O6 S C[C@@H]1[C....
29 4EYF - PNK C16 H20 N2 O5 S CC1([C@@H]....
30 4EYB - 0WO C19 H21 N3 O6 S Cc1c(c(no1....
31 5ZGQ - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
32 6D1F - P9T C10 H7 F2 O5 P c1c(cc(c2c....
33 6O3R - XJE C12 H13 O6 P Cc1cc2c(c(....
34 6LIZ ic50 = 20.4 uM EEO C11 H19 N O3 S C[C@H](CS)....
35 6LIP ic50 = 75 uM EEL C9 H15 N O3 S2 C1C[C@@H](....
36 6D1A Ki = 44.3 uM TWB C12 H13 O5 P Cc1cc2c(cc....
37 4EYL - 0RV C17 H25 N3 O6 S CC1=C(C(=N....
38 6LJ7 ic50 = 27.9 uM EFR C11 H20 N2 O2 S C[C@H](CS)....
39 6D1K Ki = 741.3 uM M3Q C10 H10 N O3 P c1cc2cccnc....
40 4EY2 - 0RM C17 H22 N2 O7 S CC1([C@@H]....
41 6D1J Ki = 56.2 uM 7SX C12 H14 N O4 P Cc1cc(c2c(....
42 6TGD - N8Q C12 H14 N4 O S c1cc(cnc1)....
43 6LJ4 ic50 = 28.4 uM EF9 C10 H17 N O3 S C[C@H](CS)....
44 6OL8 - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
45 5YPL - HIW C12 H19 N3 O5 S [H]/N=CNCC....
46 6LJ1 ic50 = 4.6 uM EEX C14 H17 N O3 S C[C@H](CS)....
47 6D1C - VKE C11 H9 O7 P c1c2c(cc3c....
48 5ZGP - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
49 5ZGI - SIN C4 H6 O4 C(CC(=O)O)....
50 6D1G Ki = 34.2 uM YKG C11 H10 Br O5 P Cc1cc2c(c(....
51 5N4T ic50 = 1.06 uM R59 C15 H18 N2 O3 S C[C@H](CS)....
52 6DD0 Ki = 3.3 uM P9T C10 H7 F2 O5 P c1c(cc(c2c....
53 5Y6D ic50 = 54.8 nM 8PL C12 H14 F N O3 S C[C@H](CS)....
54 6RPN ic50 = 0.2 uM KDZ C16 H16 B O5 S [B-]1([C@H....
55 5FQC ic50 = 0.003 uM OK3 C17 H18 B N2 O6 [B-]1([C@H....
56 6TM9 ic50 = 0.23 uM 9NW C16 H21 Cl2 N5 O2 S c1cc(c(cc1....
57 5NI0 ic50 = 1.8 uM 8XW C14 H21 O4 P S CC(=O)SC[C....
58 5NHZ ic50 = 4.7 uM 8XZ C13 H19 O4 P S CC(=O)SC[C....
59 6JN6 Ki = 0.07 uM BY0 C14 H18 B N O4 S B([C@@H](C....
60 2WHG - FLC C6 H5 O7 C(C(=O)[O-....
61 5LCA ic50 = 32.8 uM B06 C16 H10 F3 N O3 c1cc(cc(c1....
62 6EW3 ic50 = 0.04 uM S3C C9 H5 Cl3 O2 S c1cc(c(c(c....
63 6O5T Ki = 0.316 uM L8J C10 H8 Br2 N O4 P c1c(cc(c2c....
64 5LSC ic50 = 20 uM 752 C18 H13 N5 O3 S2 c1ccc(c(c1....
65 6HF5 ic50 = 6.7 uM G1N C9 H7 N3 O4 S2 c1cc(cnc1)....
66 5ACW Kd = 145 uM RHU C4 H4 F3 N3 S Cn1c(nnc1S....
67 5LM6 ic50 = 7.7 uM H32 C15 H10 F N O4 c1cc2c(c(c....
68 6TGI Ki = 41 uM N8Z C9 H12 Cl N5 S CCn1c(nnc1....
69 5Y6E ic50 = 13.7 nM 8PO C12 H15 N O4 S C[C@H](CS)....
70 5MXR ic50 = 6.2 uM JTY C10 H8 N2 O4 S2 c1ccc(cc1)....
71 6SP7 ic50 = 0.026 uM K9B C19 H29 B N3 O6 [B-]1([C@H....
72 5LCH ic50 = 20.3 uM 6TU C19 H17 N O4 COc1cccc(c....
73 5MXQ ic50 = 1.9 uM U8K C12 H10 N2 O4 S c1ccc(cc1)....
74 6J8R Ki = 0.76 uM BHU C5 H12 B N O3 S B(CNC(=O)[....
75 2YZ3 Ki = 220 nM M5P C12 H16 O2 S c1ccc(cc1)....
76 5MM9 ic50 = 0.38 uM 8SH C15 H25 O3 P S CCOP(=O)([....
77 6YRP Kd = 389 nM PJB C17 H16 N4 O4 S COc1ccc(c(....
78 6DD1 Ki = 22.3 uM M3Q C10 H10 N O3 P c1cc2cccnc....
79 6ZGM - QKK C12 H11 F2 N7 O5 S2 [H]/N=C(N)....
80 5ACX Kd = 9 uM WL3 C14 H9 F O3 c1ccc(c(c1....
81 5LCF ic50 = 17.8 uM 6TJ C15 H11 N O3 c1ccc(cc1)....
82 5N4S ic50 = 0.055 uM R38 C15 H18 N2 O3 S C[C@H](CS)....
83 6V1P - QNA C10 H9 B F O5 [B-]1([C@@....
84 6EUM ic50 = 0.3 uM BY5 C9 H5 F3 O2 S c1cc(c(c(c....
85 6EWE ic50 = 3.1 uM C0W C11 H8 O2 S2 c1ccc2c(c1....
86 6F2N ic50 = 0.2 uM CF8 C20 H16 O2 S c1ccc2cc(c....
87 1MQO - CIT C6 H8 O7 C(C(=O)O)C....
88 5FQB ic50 = 0.3 uM OK3 C17 H18 B N2 O6 [B-]1([C@H....
89 4TYT ic50 = 0.02 uM S3C C9 H5 Cl3 O2 S c1cc(c(c(c....
90 5N55 Kd = 1.03 uM 8NN C21 H16 Cl N3 O4 c1ccc2c(c1....
91 5N58 Kd = 0.8 uM 93W C21 H16 Cl N3 O4 c1ccc2c(c1....
92 5LE1 ic50 = 10.6 uM 6UW C16 H11 Cl F N O3 c1cc2c(c(c....
93 6TMC ic50 = 0.53 uM NL5 C14 H19 N3 O3 S CC(C)OCc1c....
94 6R73 - LMP C17 H27 N3 O6 S C[C@H]1[C@....
95 6RZR - 8YF C12 H19 N3 O5 S [H]/N=C/NC....
96 6RZS - LHT C22 H27 N3 O8 S C[C@@H]1[C....
97 5NDB - 8TW C7 H8 Cl2 O4 S C1=S[C@H]2....
98 1JJT ic50 = 0.009 uM BDS C20 H18 O8 c1cc2c(cc1....
99 5EV8 - 3R9 C7 H11 N O2 S3 C1[C@@H](N....
100 3WXC - C93 C13 H15 N O5 c1cc(c(c(c....
101 2DOO Kd = 67 nM C4H C19 H27 N3 O3 S2 CN(C)c1ccc....
102 4F6Z - FLC C6 H5 O7 C(C(=O)[O-....
103 1DD6 - MCI C19 H19 N5 O3 S2 c1ccc(cc1)....
104 5EWA Ki = 15 uM 9BZ C9 H15 N O2 S3 CC1([C@H](....
105 1JJE ic50 = 0.0037 uM BYS C19 H18 O6 c1ccc(cc1)....
106 4UAM - FLC C6 H5 O7 C(C(=O)[O-....
107 4EXS Ki = 39 uM X8Z C9 H15 N O3 S C[C@H](CS)....
108 1M2X Ki ~ 85 uM MCO C9 H15 N O3 S C[C@H](CS)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 6TJ; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 6TJ 1 1
2 H32 0.596774 0.851064
3 B06 0.596774 0.888889
4 6UW 0.402778 0.770833
Similar Ligands (3D)
Ligand no: 1; Ligand: 6TJ; Similar ligands found: 363
No: Ligand Similarity coefficient
1 L3L 0.9728
2 AGI 0.9612
3 F40 0.9468
4 NU3 0.9425
5 5E1 0.9405
6 IK1 0.9388
7 NRA 0.9387
8 3WL 0.9380
9 ZRL 0.9372
10 RGK 0.9365
11 5NN 0.9355
12 NAR 0.9352
13 3JC 0.9350
14 0SY 0.9344
15 ZRK 0.9342
16 YEX 0.9337
17 X8E 0.9332
18 57D 0.9329
19 CDJ 0.9312
20 H2W 0.9293
21 W8L 0.9288
22 1V3 0.9284
23 DX7 0.9282
24 5WT 0.9271
25 6BK 0.9271
26 M3W 0.9259
27 KMP 0.9259
28 20D 0.9256
29 DFL 0.9256
30 NKI 0.9245
31 WLH 0.9242
32 DXK 0.9222
33 3GX 0.9221
34 IDZ 0.9216
35 E9L 0.9216
36 DNQ 0.9216
37 1V1 0.9214
38 CZ0 0.9205
39 25F 0.9198
40 LU2 0.9198
41 P9I 0.9198
42 2PW 0.9192
43 NYJ 0.9191
44 LUM 0.9187
45 4F8 0.9184
46 FSU 0.9177
47 A73 0.9176
48 AV6 0.9174
49 P4L 0.9173
50 UAY 0.9167
51 QUE 0.9164
52 8SK 0.9163
53 CFK 0.9156
54 8HH 0.9154
55 9CE 0.9148
56 AJ4 0.9143
57 O9Q 0.9142
58 553 0.9137
59 BZC 0.9130
60 041 0.9128
61 IDD 0.9128
62 1EL 0.9122
63 JF8 0.9121
64 WUB 0.9119
65 VT3 0.9116
66 GNV 0.9115
67 5E5 0.9107
68 SZ5 0.9106
69 3F4 0.9102
70 3D8 0.9101
71 1FL 0.9095
72 15Q 0.9088
73 JNW 0.9087
74 1V4 0.9085
75 JTA 0.9085
76 ZHA 0.9085
77 TQ1 0.9079
78 78P 0.9077
79 YE7 0.9077
80 O9Z 0.9070
81 O9T 0.9064
82 2QU 0.9062
83 HFT 0.9059
84 MR4 0.9058
85 6JM 0.9057
86 9TF 0.9053
87 18E 0.9053
88 RHN 0.9050
89 1DR 0.9046
90 8M5 0.9045
91 244 0.9045
92 TXQ 0.9043
93 6DQ 0.9042
94 8G6 0.9041
95 5E2 0.9036
96 MR6 0.9036
97 5P3 0.9034
98 PIQ 0.9034
99 3DE 0.9032
100 34L 0.9030
101 5V7 0.9029
102 JO8 0.9028
103 HRD 0.9023
104 2GQ 0.9022
105 47V 0.9021
106 B21 0.9019
107 DDC 0.9018
108 CNI 0.9017
109 36I 0.9013
110 4RG 0.9011
111 ITE 0.9008
112 5WW 0.9007
113 B4L 0.9005
114 5B2 0.9003
115 5XL 0.9002
116 S60 0.9001
117 CC6 0.8998
118 JRO 0.8997
119 LFN 0.8997
120 2WU 0.8997
121 7L4 0.8996
122 GNJ 0.8993
123 KLV 0.8991
124 GEN 0.8989
125 CWE 0.8987
126 IMK 0.8984
127 9JT 0.8984
128 AP6 0.8984
129 Q0K 0.8983
130 OUA 0.8980
131 338 0.8979
132 IKY 0.8977
133 QR2 0.8974
134 TH1 0.8972
135 A63 0.8970
136 39Z 0.8968
137 97K 0.8967
138 U12 0.8961
139 S1D 0.8961
140 MRI 0.8958
141 EMU 0.8957
142 V2Z 0.8955
143 BRY 0.8953
144 HNA 0.8952
145 1AV 0.8951
146 H4B 0.8947
147 CHQ 0.8947
148 KWB 0.8947
149 697 0.8943
150 9KQ 0.8942
151 ZSP 0.8942
152 113 0.8938
153 NW1 0.8938
154 F5C 0.8937
155 3Y7 0.8937
156 DT7 0.8936
157 BJ4 0.8936
158 SGW 0.8934
159 6JP 0.8926
160 3WK 0.8923
161 2JK 0.8923
162 H35 0.8920
163 U19 0.8920
164 7EH 0.8920
165 WL3 0.8919
166 EDZ 0.8918
167 53X 0.8917
168 1UZ 0.8915
169 MNX 0.8913
170 FNT 0.8913
171 BGU 0.8913
172 HRM 0.8912
173 6ZW 0.8911
174 NIY 0.8909
175 5DN 0.8909
176 S98 0.8909
177 C4E 0.8909
178 08C 0.8908
179 YE6 0.8904
180 MR5 0.8903
181 VBC 0.8903
182 FER 0.8898
183 LR2 0.8897
184 3WJ 0.8897
185 4L2 0.8888
186 3WN 0.8886
187 3WO 0.8886
188 MHB 0.8886
189 245 0.8885
190 M3F 0.8882
191 91F 0.8880
192 ANC 0.8878
193 FQX 0.8875
194 IIH 0.8875
195 LI4 0.8874
196 7A9 0.8874
197 MUX 0.8872
198 OUG 0.8872
199 78Y 0.8871
200 GNY 0.8870
201 4FF 0.8870
202 AVX 0.8868
203 0DF 0.8868
204 1V8 0.8866
205 8E3 0.8866
206 IXM 0.8865
207 CMG 0.8864
208 BHM 0.8864
209 CX6 0.8861
210 SU9 0.8860
211 1YL 0.8860
212 SQM 0.8855
213 6QF 0.8851
214 5WS 0.8850
215 9OF 0.8850
216 6JO 0.8847
217 QC1 0.8846
218 T21 0.8845
219 2J1 0.8842
220 LI7 0.8840
221 BU7 0.8840
222 A6W 0.8840
223 X0T 0.8838
224 2D2 0.8836
225 1Q4 0.8835
226 FSE 0.8835
227 7G2 0.8830
228 6NZ 0.8830
229 EMO 0.8826
230 U14 0.8825
231 IQZ 0.8824
232 JP2 0.8823
233 38E 0.8812
234 3Q0 0.8810
235 5DE 0.8810
236 ZYQ 0.8807
237 UQ1 0.8807
238 CR1 0.8805
239 27F 0.8804
240 G6P 0.8802
241 UN4 0.8800
242 FF2 0.8797
243 Q5M 0.8794
244 XEZ 0.8792
245 MZR 0.8791
246 HKK 0.8791
247 RVE 0.8790
248 ZEA 0.8788
249 5KN 0.8787
250 JSX 0.8785
251 5AD 0.8783
252 4GU 0.8782
253 4K2 0.8780
254 4CN 0.8776
255 MBP 0.8775
256 ELH 0.8773
257 NOM 0.8769
258 Q2S 0.8763
259 WG8 0.8762
260 0OK 0.8760
261 U13 0.8759
262 QUG 0.8757
263 7NU 0.8756
264 DH2 0.8756
265 BG6 0.8754
266 AUY 0.8754
267 HWB 0.8754
268 GNM 0.8751
269 SAK 0.8749
270 774 0.8748
271 6QT 0.8747
272 4ZF 0.8746
273 BBY 0.8745
274 A9B 0.8744
275 GJK 0.8741
276 2QV 0.8740
277 FY8 0.8739
278 OCZ 0.8736
279 DT9 0.8735
280 CJZ 0.8733
281 4AU 0.8732
282 BQ5 0.8728
283 H75 0.8727
284 TCR 0.8727
285 1X8 0.8726
286 ALR 0.8723
287 AO6 0.8722
288 EQU 0.8720
289 6J3 0.8719
290 6GP 0.8717
291 5ZM 0.8716
292 NTF 0.8716
293 DFV 0.8715
294 K75 0.8715
295 PJK 0.8714
296 HA6 0.8712
297 EST 0.8710
298 4GP 0.8709
299 B23 0.8707
300 92O 0.8705
301 XCG 0.8705
302 DX8 0.8701
303 OX2 0.8701
304 56N 0.8700
305 T5J 0.8700
306 4G2 0.8699
307 0LO 0.8697
308 AH9 0.8695
309 F18 0.8694
310 RKV 0.8694
311 5S9 0.8693
312 RUG 0.8693
313 LJ3 0.8692
314 6X1 0.8688
315 NE2 0.8687
316 OSB 0.8686
317 PE2 0.8680
318 5WM 0.8673
319 5TY 0.8670
320 6ZE 0.8666
321 4R1 0.8661
322 7LU 0.8660
323 68C 0.8660
324 1HP 0.8656
325 XYP XYP 0.8654
326 7FZ 0.8650
327 LZ7 0.8647
328 BGC BGC 0.8645
329 DQH 0.8644
330 ZAR 0.8643
331 Q92 0.8642
332 Q9T 0.8641
333 MUR 0.8640
334 CL9 0.8637
335 QME 0.8636
336 5CX 0.8635
337 0FR 0.8633
338 SXX 0.8631
339 6XC 0.8627
340 OTA 0.8627
341 A5H 0.8623
342 AZN 0.8617
343 GNG 0.8611
344 TVC 0.8610
345 J3Z 0.8609
346 ZIP 0.8609
347 5ER 0.8608
348 XYP XIF 0.8608
349 A5Q 0.8600
350 833 0.8599
351 RDT 0.8593
352 2UV 0.8593
353 49P 0.8591
354 EES 0.8585
355 OPA 0.8585
356 PCQ 0.8582
357 HBO 0.8577
358 57U 0.8575
359 DMB 0.8575
360 6T5 0.8567
361 BHS 0.8565
362 S0D 0.8564
363 NWD 0.8545
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FQC; Ligand: OK3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5fqc.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5FQC; Ligand: OK3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5fqc.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
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