Receptor
PDB id Resolution Class Description Source Keywords
1VAY 2.24 Å EC: 1.7.3.3 CRYSTAL STRUCTURE OF URICASE FROM ARTHROBACTER GLOBIFORMIS WITH INHIBITOR 8-AZAXANTHINE ARTHROBACTER GLOBIFORMIS OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF URICASE FROM ARTHROBACTER GLOBIFORMIS COMPLEXED WITH AN INHIBITOR 8-AZAXANTHINE TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AZA A:1304;
B:1301;
B:1303;
D:1302;
E:1308;
F:1307;
G:1306;
H:1305;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
153.099 C4 H3 N5 O2 c12c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VAY 2.24 Å EC: 1.7.3.3 CRYSTAL STRUCTURE OF URICASE FROM ARTHROBACTER GLOBIFORMIS WITH INHIBITOR 8-AZAXANTHINE ARTHROBACTER GLOBIFORMIS OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF URICASE FROM ARTHROBACTER GLOBIFORMIS COMPLEXED WITH AN INHIBITOR 8-AZAXANTHINE TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1VAY - AZA C4 H3 N5 O2 c12c([nH]n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1VAY - AZA C4 H3 N5 O2 c12c([nH]n....
50% Homology Family (52)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2IBA - AZA C4 H3 N5 O2 c12c([nH]n....
2 3PKU - AZA C4 H3 N5 O2 c12c([nH]n....
3 3PK4 - AZA C4 H3 N5 O2 c12c([nH]n....
4 3PK6 - AZA C4 H3 N5 O2 c12c([nH]n....
5 3PK8 - AZA C4 H3 N5 O2 c12c([nH]n....
6 2FXL - 2AL C4 H4 N4 O3 C1(=O)C(=N....
7 3PKF - AZA C4 H3 N5 O2 c12c([nH]n....
8 3PLI - AZA C4 H3 N5 O2 c12c([nH]n....
9 2ICQ - AZA C4 H3 N5 O2 c12c([nH]n....
10 2IC0 - AZA C4 H3 N5 O2 c12c([nH]n....
11 4CW2 - XDS C6 H6 N4 O5 CN1C2=NC(=....
12 4D13 - IUP C5 H4 N4 O5 C12=NC(=O)....
13 3L9G - URC C5 H4 N4 O3 C12=C(NC(=....
14 1WRR - UNC C4 H4 N4 O4 C1(=C(NC(=....
15 2FUB - AZA C4 H3 N5 O2 c12c([nH]n....
16 4D19 - URC C5 H4 N4 O3 C12=C(NC(=....
17 3PLE - AZA C4 H3 N5 O2 c12c([nH]n....
18 2ZKA - OXY O2 O=O
19 3L8W - XAN C5 H4 N4 O2 c1[nH]c2c(....
20 1R4S - MUA C6 H6 N4 O3 CN1C2=C(C(....
21 3LBG - 8TX C5 H4 N4 O2 S C12=C(NC(=....
22 3PKL - AZA C4 H3 N5 O2 c12c([nH]n....
23 3PLJ - AZA C4 H3 N5 O2 c12c([nH]n....
24 3CKS - OXY O2 O=O
25 3PKK - AZA C4 H3 N5 O2 c12c([nH]n....
26 4PR8 - URC C5 H4 N4 O3 C12=C(NC(=....
27 3PLM - AZA C4 H3 N5 O2 c12c([nH]n....
28 2ZKB - OXY O2 O=O
29 3BK8 - AZA C4 H3 N5 O2 c12c([nH]n....
30 3PKT - AZA C4 H3 N5 O2 c12c([nH]n....
31 3PLH - AZA C4 H3 N5 O2 c12c([nH]n....
32 3OBP - URC C5 H4 N4 O3 C12=C(NC(=....
33 3PKH - AZA C4 H3 N5 O2 c12c([nH]n....
34 4N9V - AZA C4 H3 N5 O2 c12c([nH]n....
35 3PK5 - AZA C4 H3 N5 O2 c12c([nH]n....
36 1XT4 - GUN C5 H5 N5 O c1[nH]c2c(....
37 4D12 - URC C5 H4 N4 O3 C12=C(NC(=....
38 1R51 - AZA C4 H3 N5 O2 c12c([nH]n....
39 4CW6 - XDS C6 H6 N4 O5 CN1C2=NC(=....
40 1R4U - OXC C4 H5 N3 O4 C1(NC(=O)N....
41 3BJP - URC C5 H4 N4 O3 C12=C(NC(=....
42 3PLG - AZA C4 H3 N5 O2 c12c([nH]n....
43 3PKS - AZA C4 H3 N5 O2 c12c([nH]n....
44 3CKU - AZA C4 H3 N5 O2 c12c([nH]n....
45 3PKG - AZA C4 H3 N5 O2 c12c([nH]n....
46 4CW0 - MUA C6 H6 N4 O3 CN1C2=C(C(....
47 3LD4 - 8NX C5 H3 N5 O4 c12c(nc([n....
48 3PK3 - AZA C4 H3 N5 O2 c12c([nH]n....
49 4CW3 - XDS C6 H6 N4 O5 CN1C2=NC(=....
50 4D17 - URC C5 H4 N4 O3 C12=C(NC(=....
51 3PJK - AZA C4 H3 N5 O2 c12c([nH]n....
52 1VAY - 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 : 1VAY; Ligand: AZA; Similar sites found: 24
This union binding pocket(no: 1) in the query (biounit: 1vay.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JT2 FER 0.01648 0.40084 1.49254
2 4P3H 25G 0.02941 0.40452 1.5544
3 4M26 SIN 0.01447 0.42261 2.09059
4 2J0W ASP 0.006567 0.41962 2.09059
5 4P6X HCY 0.03966 0.40601 2.35294
6 2ZXG S23 0.03457 0.40407 2.43902
7 3KC1 2T6 0.02666 0.40051 2.43902
8 1NBU PH2 0.00002912 0.54137 2.52101
9 3IT7 TLA 0.004077 0.41972 3.2967
10 3DLG GWE 0.04386 0.42589 3.48432
11 4N9Z V3L 0.006145 0.4268 3.83275
12 2FXD DR7 0.01459 0.42802 4.0404
13 2BD0 BIO 0.002135 0.44076 4.09836
14 1FND A2P 0.03303 0.41592 4.87805
15 3K8D KDO 0.007495 0.4032 4.92424
16 1NVM NAD 0.0347 0.41211 5.92335
17 5FUE UV4 0.01962 0.40452 6.96864
18 5TVM PUT 0.009932 0.41322 8.77193
19 5EYK 5U5 0.04125 0.40069 11.8644
20 1SQL GUN 0.0003551 0.47472 13.6986
21 5LJ0 6XX 0.0107 0.42867 14.6154
22 3SJH LAR 0.03411 0.40816 18.5185
23 3SJH ATP 0.02257 0.40816 18.5185
24 1EJH M7G 0.0193 0.41041 31.25
Pocket No.: 2; Query (leader) PDB : 1VAY; Ligand: AZA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1vay.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1VAY; 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: 1vay.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1VAY; 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: 1vay.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1VAY; Ligand: AZA; Similar sites found: 11
This union binding pocket(no: 5) in the query (biounit: 1vay.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KA2 2NC 0.02903 0.42942 1.97044
2 4QOM PYG 0.02695 0.40104 2.09059
3 4USF 6UI 0.03047 0.4024 2.43902
4 4B7P 9UN 0.02812 0.42759 2.6087
5 4REP FAD 0.04657 0.41074 2.78746
6 5O4J 9KH 0.0346 0.41247 3.64964
7 5O4J SAH 0.0346 0.41247 3.64964
8 4R81 FMN 0.02903 0.40091 3.8835
9 5FH7 5XL 0.01202 0.40464 4.03226
10 2P0D I3P 0.02005 0.40049 5.42636
11 3C6K MTA 0.0442 0.4089 7.31707
Pocket No.: 6; Query (leader) PDB : 1VAY; Ligand: AZA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1vay.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1VAY; Ligand: AZA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1vay.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1VAY; Ligand: AZA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1vay.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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