Receptor
PDB id Resolution Class Description Source Keywords
6EW3 2.14 Å EC: 3.5.2.6 CRYSTAL STRUCTURE OF THE METALLO-BETA-LACTAMASE VIM-2 WITH M PSEUDOMONAS AERUGINOSA METAL BINDING HYDROLASE ANTIBIOTIC RESISTANCE XCHEM COMP
Ref.: STRUCTURE ACTIVITY RELATIONSHIP STUDIES ON RHODANIN DERIVED ENETHIOL INHIBITORS OF METALLO-BETA-LACTAMA BIOORG. MED. CHEM. V. 26 2928 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:502;
B:503;
A:503;
B:502;
B:501;
A:501;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
FMT B:505;
B:504;
A:505;
A:504;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
46.025 C H2 O2 C(=O)...
DMS A:507;
B:508;
B:507;
A:508;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
CL B:509;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
S3C A:506;
B:506;
 Valid;
Valid;
 none;
none;
 ic50 = 0.04 uM
283.559 C9 H5 Cl3 O2 S c1cc(...
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: S3C; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 S3C 1 1
2 BY5 0.4 0.916667
Similar Ligands (3D)
Ligand no: 1; Ligand: S3C; Similar ligands found: 329
No: Ligand Similarity coefficient
1 AM1 0.9376
2 FWD 0.9376
3 CLU 0.9358
4 505 0.9337
5 CMU 0.9329
6 PW1 0.9300
7 DTR 0.9300
8 CWD 0.9284
9 33S 0.9281
10 BWD 0.9265
11 TRP 0.9264
12 EXR 0.9230
13 IWD 0.9221
14 YOF 0.9214
15 DAH 0.9213
16 RVE 0.9213
17 F52 0.9212
18 C0W 0.9206
19 DC5 0.9196
20 4Z9 0.9184
21 F5C 0.9182
22 CPW 0.9180
23 ALN 0.9176
24 L5E 0.9173
25 NCV 0.9163
26 QUS 0.9162
27 S0G 0.9160
28 BP6 0.9160
29 IYR 0.9158
30 AMQ 0.9151
31 MMS 0.9139
32 CGW 0.9136
33 SLY 0.9120
34 F06 0.9120
35 HJH 0.9120
36 4OG 0.9117
37 BP3 0.9090
38 LTN 0.9082
39 SBK 0.9074
40 ITW 0.9066
41 STT 0.9053
42 PVQ 0.9050
43 9BF 0.9049
44 PVK 0.9046
45 LSQ 0.9042
46 PHE 0.9039
47 HFA 0.9033
48 HPT 0.9031
49 BRH 0.9025
50 54X 0.9022
51 X04 0.9020
52 4WF 0.9019
53 CCV 0.9015
54 S7B 0.9006
55 L13 0.9001
56 2LT 0.8997
57 DPN 0.8996
58 TU0 0.8996
59 AMR 0.8996
60 57O 0.8993
61 S2P 0.8989
62 NWD 0.8986
63 BPY 0.8986
64 89J 0.8982
65 KYN 0.8974
66 78U 0.8973
67 XFE 0.8972
68 NFA 0.8966
69 5OO 0.8961
70 ONR 0.8959
71 DHC 0.8955
72 OUB 0.8951
73 AOT 0.8937
74 SV4 0.8936
75 A1Y 0.8935
76 CE2 0.8932
77 P80 0.8931
78 NIY 0.8931
79 TB8 0.8929
80 512 0.8927
81 CFA 0.8927
82 DTY 0.8927
83 TYR 0.8927
84 3IL 0.8924
85 IAC 0.8923
86 6HX 0.8919
87 TNX 0.8918
88 PFF 0.8915
89 S3B 0.8914
90 61M 0.8912
91 HWD 0.8908
92 67Y 0.8908
93 6J9 0.8908
94 IOP 0.8903
95 L21 0.8902
96 4GP 0.8899
97 977 0.8893
98 M5H 0.8889
99 P7Y 0.8889
100 G6P 0.8887
101 0W1 0.8884
102 6HP 0.8881
103 B4O 0.8881
104 STZ 0.8880
105 ASC 0.8878
106 SHI 0.8877
107 PLP 0.8876
108 U1K 0.8872
109 IBC 0.8870
110 LL1 0.8869
111 CTE 0.8865
112 O2Y 0.8864
113 ENO 0.8862
114 N8Z 0.8861
115 9F8 0.8861
116 IPT 0.8860
117 0F9 0.8858
118 IOS 0.8853
119 2UB 0.8853
120 PXP 0.8852
121 4BF 0.8848
122 CP7 0.8847
123 NLA 0.8845
124 NQH 0.8842
125 OX2 0.8841
126 KTW 0.8841
127 F34 0.8839
128 CR1 0.8839
129 PYU 0.8838
130 PPY 0.8836
131 PLR 0.8836
132 C0H 0.8836
133 NBG 0.8834
134 TSR 0.8834
135 XQI 0.8831
136 1U7 0.8831
137 YX1 0.8830
138 MEX 0.8829
139 UFO 0.8829
140 PMP 0.8827
141 PHI 0.8822
142 3VW 0.8822
143 M3Q 0.8822
144 G1P 0.8819
145 96Z 0.8819
146 CK2 0.8819
147 V1T 0.8818
148 K3Q 0.8817
149 FER 0.8813
150 BB4 0.8811
151 B2Y 0.8808
152 TR7 0.8808
153 SQ4 0.8807
154 CK1 0.8805
155 9KH 0.8802
156 IBM 0.8800
157 NAG 0.8800
158 2CL 0.8799
159 6DP 0.8799
160 KG1 0.8796
161 TYC 0.8786
162 2UD 0.8786
163 14W 0.8785
164 MIL 0.8784
165 4Z3 0.8777
166 EV3 0.8772
167 9H2 0.8770
168 JYW 0.8767
169 BNL 0.8765
170 MQB 0.8760
171 HIC 0.8758
172 3TC 0.8757
173 A6H 0.8757
174 EXD 0.8755
175 1XA 0.8752
176 5VL 0.8752
177 AKD 0.8749
178 16Z 0.8745
179 54F 0.8744
180 ZZ2 0.8739
181 GF4 0.8739
182 AOJ 0.8734
183 GLO 0.8732
184 ARP 0.8731
185 CUT 0.8730
186 2GQ 0.8729
187 363 0.8727
188 SIZ 0.8726
189 HCI 0.8725
190 XEN 0.8724
191 M4B 0.8722
192 MUR 0.8721
193 1FF 0.8721
194 CP6 0.8721
195 DNB 0.8712
196 H7S 0.8712
197 I4D 0.8712
198 0FK 0.8712
199 8NX 0.8709
200 QMS 0.8709
201 M6P 0.8709
202 R9S 0.8708
203 EMZ 0.8707
204 JTH 0.8705
205 ETV 0.8703
206 1SS 0.8703
207 YTX 0.8701
208 EV2 0.8701
209 2LX 0.8699
210 A9P 0.8698
211 DJN 0.8697
212 SG2 0.8697
213 790 0.8695
214 HSX 0.8695
215 3C4 0.8694
216 HL4 0.8694
217 A9O 0.8693
218 PRZ 0.8693
219 5OF 0.8693
220 P84 0.8693
221 CH9 0.8692
222 QZ8 0.8690
223 96R 0.8689
224 TOM 0.8689
225 5WN 0.8688
226 TZM 0.8687
227 0A9 0.8686
228 NDG 0.8683
229 FF2 0.8683
230 N2M 0.8681
231 IPD 0.8676
232 25O 0.8673
233 AX3 0.8673
234 B40 0.8673
235 S7G 0.8672
236 HNK 0.8671
237 TYE 0.8670
238 2CZ 0.8670
239 DI6 0.8669
240 6J5 0.8663
241 CTN 0.8662
242 GT0 0.8662
243 3JM 0.8657
244 LYL 0.8656
245 7QS 0.8652
246 12T 0.8651
247 2SX 0.8651
248 F1X 0.8651
249 ZON 0.8650
250 AVA 0.8649
251 1CY 0.8644
252 A5P 0.8640
253 BPS 0.8640
254 TSS 0.8639
255 EYV 0.8639
256 R9J 0.8638
257 ALE 0.8638
258 A2G 0.8636
259 N7I 0.8632
260 LAO 0.8631
261 SRO 0.8628
262 2K8 0.8628
263 FXH 0.8628
264 CIY 0.8626
265 GJK 0.8625
266 NGA 0.8623
267 JYT 0.8622
268 0LH 0.8618
269 7Q1 0.8618
270 PO6 0.8616
271 SQP 0.8614
272 2JK 0.8613
273 9PL 0.8611
274 APS 0.8611
275 KDG 0.8611
276 M6D 0.8610
277 CKA 0.8608
278 LIP 0.8607
279 61O 0.8604
280 0QW 0.8604
281 YO5 0.8604
282 MD6 0.8603
283 54E 0.8602
284 23J 0.8601
285 HA5 0.8600
286 A9K 0.8599
287 R9Y 0.8598
288 KP6 0.8598
289 THM 0.8595
290 BG6 0.8594
291 GDL 0.8593
292 8GK 0.8592
293 NVU 0.8592
294 BK9 0.8592
295 AIN 0.8589
296 LTT 0.8589
297 3LJ 0.8589
298 8U3 0.8587
299 NOK 0.8587
300 1WC 0.8587
301 A7K 0.8582
302 K7M 0.8580
303 GI3 0.8579
304 R20 0.8578
305 FPL 0.8572
306 M6H 0.8568
307 JP2 0.8560
308 MJ5 0.8554
309 8VR 0.8554
310 JF1 0.8550
311 0DN 0.8549
312 SAF 0.8548
313 AU8 0.8547
314 GLS 0.8546
315 TQU 0.8545
316 15N 0.8543
317 KYA 0.8539
318 H35 0.8538
319 NWL 0.8536
320 GFE 0.8532
321 TRF 0.8532
322 EGR 0.8530
323 1QV 0.8529
324 LTM 0.8517
325 CH8 0.8509
326 OA1 0.8509
327 TL6 0.8508
328 1VK 0.8506
329 EQW 0.8505
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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