Receptor
PDB id Resolution Class Description Source Keywords
3WLV 1.75 Å EC: 1.7.3.3 THERMOSTABLE URATE OXIDASE FROM BACILLUS SP. TB-90 BACILLUS TUNNEL FOLD MOTIF OXIDASE OXIDOREDUCTASE
Ref.: INTERSUBUNIT SALT BRIDGES WITH A SULFATE ANION CONT SUBUNIT DISSOCIATION AND THERMAL STABILIZATION OF B SP. TB-90 URATE OXIDASE BIOCHEMISTRY 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL B:404;
C:403;
A:403;
D:402;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
SO4 B:402;
A:402;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
K B:403;
C:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
39.098 K [K+]
AZA A:401;
D:401;
C:401;
B:401;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
153.099 C4 H3 N5 O2 c12c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WLV 1.75 Å EC: 1.7.3.3 THERMOSTABLE URATE OXIDASE FROM BACILLUS SP. TB-90 BACILLUS TUNNEL FOLD MOTIF OXIDASE OXIDOREDUCTASE
Ref.: INTERSUBUNIT SALT BRIDGES WITH A SULFATE ANION CONT SUBUNIT DISSOCIATION AND THERMAL STABILIZATION OF B SP. TB-90 URATE OXIDASE BIOCHEMISTRY 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3WLV - AZA C4 H3 N5 O2 c12c([nH]n....
2 5AYJ - MUA C6 H6 N4 O3 CN1C2=C(C(....
3 1J2G - AZA C4 H3 N5 O2 c12c([nH]n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3WLV - AZA C4 H3 N5 O2 c12c([nH]n....
2 5AYJ - MUA C6 H6 N4 O3 CN1C2=C(C(....
3 1J2G - AZA C4 H3 N5 O2 c12c([nH]n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3WLV - AZA C4 H3 N5 O2 c12c([nH]n....
2 5AYJ - MUA C6 H6 N4 O3 CN1C2=C(C(....
3 1J2G - AZA C4 H3 N5 O2 c12c([nH]n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AZA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AZA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WLV; Ligand: AZA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3wlv.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3WLV; Ligand: AZA; Similar sites found: 37
This union binding pocket(no: 2) in the query (biounit: 3wlv.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DR9 BB2 0.01889 0.40302 1.04167
2 4WAS NAP 0.04392 0.40798 1.60256
3 1X6V ADP 0.03105 0.40742 1.60256
4 4USF 6UI 0.02445 0.40748 1.97368
5 4U0O MTA 0.01841 0.40736 2.02703
6 3C8Z 5CA 0.02735 0.40024 2.24359
7 3K8D KDO 0.003623 0.42643 2.27273
8 4LRJ ANP 0.006498 0.42641 2.36686
9 3KDU NKS 0.04884 0.41385 2.52708
10 4LOK 1YD 0.04665 0.40839 2.65957
11 1K3T BRZ 0.04412 0.40488 3.20513
12 1YC4 43P 0.0129 0.40711 3.40909
13 1F28 F89 0.01354 0.41034 3.7037
14 3DUV KDO 0.006727 0.41338 3.81679
15 2ZYI STE 0.01754 0.4165 3.84615
16 3TDV GDP 0.005691 0.43139 3.92157
17 4ZAC 4LU 0.03003 0.41178 4.48718
18 2C6Q IMP 0.0226 0.41072 4.48718
19 1NBU PH2 0.0001623 0.50138 5.04202
20 2RKV COA 0.03446 0.41074 5.12821
21 3OTI C0T 0.02892 0.40508 5.44872
22 2PHN GDP 0.02726 0.405 5.51181
23 1FKB RAP 0.04124 0.40319 5.60748
24 3QF7 ANP 0.04669 0.40027 5.76923
25 5LJ0 6XX 0.0178 0.41617 6.92308
26 1SQL GUN 0.0006588 0.43928 8.21918
27 5BXV MGP 0.02302 0.40771 8.33333
28 2WFG ZZB 0.02296 0.40243 8.42912
29 4B0T ADP 0.01876 0.41497 8.65385
30 3MN6 ATP 0.01569 0.41437 8.97436
31 5LXT ACP 0.01834 0.41247 11.8881
32 5T0B SIA GAL NAG 0.02284 0.40428 12.2222
33 5DEP UD1 0.02173 0.42767 12.4031
34 5FH7 5XL 0.01019 0.40732 12.9032
35 3A7R LAQ 0.02886 0.41701 16.0256
36 5TZJ UD1 0.04173 0.40175 16.0256
37 3VPB ADP 0.02916 0.4049 17.8571
Pocket No.: 3; Query (leader) PDB : 3WLV; Ligand: AZA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3wlv.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3WLV; Ligand: AZA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3wlv.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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