Receptor
PDB id Resolution Class Description Source Keywords
5acx 1.8 Å EC: 3.5.2.6 VIM-2-2, DISCOVERY OF NOVEL INHIBITOR SCAFFOLDS AGAINST THE BETA-LACTAMASE VIM-2 BY SPR BASED FRAGMENT SCREENING PSEUDOMONAS AERUGINOSA HYDROLASE
Ref.: DISCOVERY OF NOVEL INHIBITOR SCAFFOLDS AGAINST THE METALLO-BETA-LACTAMASE VIM-2 BY SPR BASED FRAGMENT J.MED.CHEM. V. 58 8671 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:1002;
B:1003;
A:1002;
A:1003;
A:1001;
B:1001;
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...
CL B:1301;
B:1300;
A:1300;
A:1301;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
OH B:1299;
A:1299;
Invalid;
Invalid;
none;
none;
submit data
17.007 H O [OH-]
ASN ARG SER B:295;
A:295;
Invalid;
Invalid;
none;
none;
submit data
n/a n/a
WL3 A:1298;
B:1298;
Valid;
Valid;
none;
none;
Kd = 9 uM
244.218 C14 H9 F O3 c1ccc...
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: WL3; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 WL3 1 1
2 1Y6 0.45 0.681818
Similar Ligands (3D)
Ligand no: 1; Ligand: WL3; Similar ligands found: 187
No: Ligand Similarity coefficient
1 F0C 0.9318
2 CJZ 0.9292
3 S0I 0.9288
4 TH4 0.9271
5 5E4 0.9232
6 3B4 0.9196
7 BIE 0.9180
8 FNA 0.9171
9 1U7 0.9164
10 FUZ 0.9162
11 12R 0.9150
12 C6Z 0.9150
13 4EU 0.9147
14 OSB 0.9111
15 NFK 0.9096
16 AKD 0.9088
17 3WJ 0.9077
18 A4V 0.9073
19 KYN 0.9067
20 ID8 0.9066
21 WCU 0.9065
22 QTS 0.9053
23 4F8 0.9043
24 TCL 0.9036
25 AJD 0.9032
26 27M 0.9026
27 CQW 0.9020
28 N1Y 0.9019
29 6J3 0.9011
30 EAJ 0.9011
31 B23 0.9007
32 8OB 0.9006
33 PVQ 0.8996
34 MUK 0.8993
35 QC1 0.8988
36 PVK 0.8983
37 HHV 0.8977
38 TOM 0.8972
39 HO6 0.8972
40 8UY 0.8965
41 N2Y 0.8961
42 3WK 0.8957
43 AEY 0.8948
44 B21 0.8945
45 M02 0.8940
46 BQ5 0.8939
47 CGW 0.8935
48 4GU 0.8935
49 CPW 0.8934
50 8OE 0.8931
51 LI4 0.8930
52 OUB 0.8927
53 OCZ 0.8926
54 HA6 0.8922
55 9F8 0.8920
56 6TJ 0.8919
57 SLY 0.8916
58 TCW 0.8914
59 GAT 0.8911
60 ONZ 0.8911
61 3AK 0.8908
62 TCC 0.8906
63 43F 0.8900
64 CMG 0.8890
65 PP2 0.8890
66 L3L 0.8886
67 7ZL 0.8885
68 7VY 0.8881
69 HVE 0.8880
70 FMB 0.8876
71 4K2 0.8876
72 CG8 0.8875
73 M01 0.8866
74 FM2 0.8866
75 RUG 0.8863
76 ADN 0.8860
77 ELH 0.8859
78 9E3 0.8854
79 38B 0.8853
80 DCZ 0.8851
81 FHI 0.8846
82 LVE 0.8845
83 Q5M 0.8844
84 DKZ 0.8834
85 LLG 0.8832
86 IKY 0.8831
87 KWB 0.8828
88 TBN 0.8821
89 PP1 0.8819
90 UN4 0.8819
91 LVP 0.8816
92 H35 0.8813
93 P2C 0.8810
94 CJB 0.8808
95 Q2R 0.8806
96 DKX 0.8805
97 CMU 0.8805
98 9FN 0.8804
99 FC3 0.8800
100 5AE 0.8799
101 7VF 0.8798
102 TOH 0.8793
103 NIY 0.8787
104 CHQ 0.8786
105 FMC 0.8786
106 CBQ 0.8785
107 683 0.8777
108 A04 0.8774
109 I0D 0.8774
110 5P3 0.8769
111 TYP 0.8766
112 2LX 0.8765
113 OX2 0.8763
114 4P8 0.8762
115 5WS 0.8758
116 DBQ 0.8750
117 DBS 0.8749
118 W8G 0.8747
119 1BY 0.8746
120 1FL 0.8745
121 3IL 0.8744
122 QUB 0.8739
123 47V 0.8732
124 W29 0.8723
125 CR1 0.8711
126 B4O 0.8709
127 JFS 0.8708
128 AB3 0.8705
129 LJ4 0.8700
130 PFT 0.8692
131 HRX 0.8691
132 AZC 0.8689
133 6J9 0.8688
134 1SF 0.8679
135 DBE 0.8676
136 PYU 0.8671
137 9JT 0.8671
138 AUV 0.8666
139 IMK 0.8664
140 AVA 0.8660
141 2LT 0.8658
142 C0Y 0.8655
143 THM 0.8654
144 NWD 0.8654
145 VGG 0.8652
146 4MP 0.8644
147 4I5 0.8643
148 5JT 0.8642
149 PIR 0.8641
150 2GD 0.8640
151 KS5 0.8639
152 GI2 0.8638
153 Q4G 0.8638
154 S1D 0.8638
155 7L4 0.8635
156 IMQ 0.8634
157 VJP 0.8633
158 AVX 0.8631
159 LJ3 0.8626
160 NHT 0.8624
161 XYP XIF 0.8622
162 96Z 0.8620
163 INI 0.8619
164 FBC 0.8618
165 TOP 0.8616
166 RE4 0.8611
167 DUR 0.8610
168 MEX 0.8608
169 A5H 0.8607
170 A7K 0.8606
171 WVV 0.8605
172 4VT 0.8594
173 MUX 0.8593
174 R75 0.8592
175 FCD 0.8590
176 NTF 0.8589
177 JSX 0.8576
178 XEV 0.8562
179 5AD 0.8559
180 57D 0.8558
181 4L2 0.8550
182 15Q 0.8543
183 7M2 0.8540
184 ZEA 0.8537
185 NPG 0.8532
186 4NR 0.8530
187 XYP XYP 0.8526
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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