Receptor
PDB id Resolution Class Description Source Keywords
6J8R 1.58 Å EC: 3.5.2.6 METALLO-BETA-LACTAMASE VIM-2 IN COMPLEX WITH DUAL MBL/SBL IN MS01 PSEUDOMONAS AERUGINOSA METALLO-BETA-LACTAMASE VIM-2 VIM-2 HYDROLASE
Ref.: STRUCTURE-BASED DEVELOPMENT OF (1-(3'-MERCAPTOPROPANAMIDO)METHYL)BORONIC ACID DERI BROAD-SPECTRUM, DUAL-ACTION INHIBITORS OF METALLO-SERINE-BETA-LACTAMASES. J.MED.CHEM. V. 62 7160 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:313;
A:311;
A:312;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
ZN A:301;
A:302;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
FMT A:306;
A:304;
A:305;
A:307;
A:310;
A:309;
A:308;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
46.025 C H2 O2 C(=O)...
BHU A:303;
 Valid;
 none;
 Ki = 0.76 uM
177.03 C5 H12 B N O3 S B(CNC...
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: BHU; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BHU 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: BHU; Similar ligands found: 217
No: Ligand Similarity coefficient
1 AKG 0.9551
2 OGA 0.9532
3 2HG 0.9431
4 GLN 0.9429
5 GLU 0.9402
6 S2G 0.9370
7 DGN 0.9238
8 MTL 0.9233
9 KMH 0.9214
10 SDD 0.9203
11 DAL DAL 0.9203
12 UN1 0.9200
13 LYS 0.9196
14 DGL 0.9196
15 GPJ 0.9182
16 AT3 0.9176
17 4LR 0.9175
18 2IT 0.9174
19 X1R 0.9165
20 ALA ALA 0.9161
21 GPF 0.9154
22 7OD 0.9146
23 GUA 0.9128
24 4HP 0.9125
25 MZT 0.9123
26 8SZ 0.9119
27 ORN 0.9101
28 XLS 0.9101
29 TAG 0.9092
30 XUL 0.9091
31 I38 0.9089
32 AG2 0.9084
33 XYL 0.9081
34 650 0.9075
35 ENW 0.9075
36 DZA 0.9074
37 7BC 0.9069
38 5XB 0.9069
39 0VT 0.9065
40 64Z 0.9052
41 E4P 0.9047
42 DXP 0.9047
43 3PG 0.9044
44 ZGL 0.9043
45 OEG 0.9041
46 HG3 0.9031
47 0L1 0.9031
48 NLE 0.9025
49 CUW 0.9024
50 DI6 0.9024
51 BNF 0.9019
52 3LR 0.9016
53 CCE 0.9016
54 DLY 0.9008
55 RTK 0.9004
56 3S5 0.9003
57 IXW 0.9001
58 AL0 0.8996
59 DEZ 0.8996
60 SEP 0.8987
61 SAF 0.8985
62 NM3 0.8983
63 TLA 0.8978
64 LLH 0.8975
65 GGL 0.8969
66 PGA 0.8969
67 PJL 0.8966
68 9ON 0.8965
69 2FT 0.8962
70 MEQ 0.8958
71 IP8 0.8950
72 DAR 0.8939
73 PO6 0.8938
74 4TP 0.8937
75 XIZ 0.8932
76 OHJ 0.8929
77 DIR 0.8916
78 K7M 0.8913
79 3OL 0.8910
80 CXP 0.8910
81 DHI 0.8907
82 FOM 0.8902
83 AHN 0.8898
84 KDG 0.8893
85 HPV 0.8891
86 ARG 0.8882
87 S8V 0.8881
88 ONL 0.8881
89 ENV 0.8880
90 CHH 0.8879
91 RUJ 0.8877
92 HYA 0.8876
93 RB5 0.8876
94 MHN 0.8873
95 PPY 0.8871
96 HMS 0.8863
97 5XA 0.8861
98 B3M 0.8860
99 HCI 0.8858
100 FOC 0.8858
101 PHE 0.8855
102 CCD 0.8854
103 NWH 0.8849
104 K6V 0.8848
105 S2P 0.8848
106 CIR 0.8847
107 F98 0.8845
108 HL5 0.8844
109 KNA 0.8835
110 PSJ 0.8834
111 CS2 0.8833
112 CLT 0.8833
113 5FX 0.8833
114 GCO 0.8833
115 2FM 0.8832
116 MED 0.8832
117 SHV 0.8829
118 PGH 0.8825
119 ONH 0.8825
120 BHL 0.8819
121 2D8 0.8817
122 R2P 0.8814
123 152 0.8813
124 GLR 0.8812
125 OCA 0.8803
126 MLT 0.8802
127 M1T 0.8798
128 DHM 0.8786
129 GGB 0.8781
130 3YP 0.8778
131 FK8 0.8777
132 KQY 0.8776
133 G3P 0.8776
134 NTU 0.8774
135 SYM 0.8774
136 GVM 0.8774
137 OOG 0.8773
138 HL4 0.8773
139 IAR 0.8771
140 REL 0.8766
141 AFS 0.8762
142 DER 0.8761
143 LX1 0.8760
144 SSC 0.8759
145 41K 0.8757
146 G3H 0.8757
147 GLY GLY GLY 0.8756
148 13P 0.8756
149 DXG 0.8755
150 LMR 0.8755
151 2BX 0.8754
152 JQ5 0.8754
153 8GL 0.8753
154 URO 0.8752
155 XYH 0.8750
156 RAT 0.8749
157 ZZU 0.8745
158 5SP 0.8744
159 LFC 0.8742
160 5OY 0.8741
161 1BN 0.8738
162 SME 0.8736
163 7UC 0.8734
164 9GB 0.8733
165 LYN 0.8731
166 PC 0.8731
167 N6C 0.8724
168 RNT 0.8718
169 3HG 0.8718
170 3SL 0.8716
171 LUQ 0.8714
172 MHO 0.8713
173 ACA 0.8712
174 HGA 0.8712
175 LPK 0.8711
176 MUC 0.8700
177 7C3 0.8699
178 N9J 0.8696
179 M3P 0.8694
180 GLO 0.8692
181 AOS 0.8690
182 NM2 0.8689
183 GRQ 0.8689
184 4TB 0.8679
185 NMH 0.8671
186 A3M 0.8669
187 DLT 0.8668
188 YI6 0.8664
189 LGT 0.8661
190 HTX 0.8653
191 HHI 0.8649
192 11C 0.8642
193 GZ3 0.8638
194 AE3 0.8636
195 2CO 0.8635
196 XRX 0.8635
197 PBA 0.8635
198 1X4 0.8634
199 58X 0.8634
200 FIX 0.8625
201 1N5 0.8624
202 SOL 0.8624
203 GZ2 0.8623
204 1GP 0.8622
205 3BU 0.8619
206 ROR 0.8612
207 PPT 0.8611
208 RNS 0.8610
209 MLZ 0.8598
210 P58 0.8596
211 PG0 0.8583
212 ILO 0.8577
213 QDK 0.8564
214 AHC 0.8561
215 TZM 0.8553
216 MVH 0.8551
217 AJ3 0.8524
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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