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Receptor
PDB id Resolution Class Description Source Keywords
3L8W 1 Å EC: 1.7.3.3 URATE OXIDASE FROM ASPERGILLUS FLAVUS COMPLEXED WITH XANTHIN ASPERGILLUS FLAVUS OXIDOREDUCTASE URIC ACID DEGRADATION XANTHINE INHIBITION ASPERGILLUS FLAVUS PEROXISOME PURINE METABOLISM
Ref.: NEAR-ATOMIC RESOLUTION STRUCTURES OF URATE OXIDASE WITH ITS SUBSTRATE AND ANALOGUES: THE PROTONATION S THE LIGAND. ACTA CRYSTALLOGR.,SECT.D V. 66 714 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4PO A:370;
Invalid;
none;
submit data
194.23 C10 H14 N2 O2 CC(C)...
NA A:301;
Part of Protein;
none;
submit data
22.99 Na [Na+]
XAN A:300;
Valid;
none;
submit data
152.111 C5 H4 N4 O2 c1[nH...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3L8W 1 Å EC: 1.7.3.3 URATE OXIDASE FROM ASPERGILLUS FLAVUS COMPLEXED WITH XANTHIN ASPERGILLUS FLAVUS OXIDOREDUCTASE URIC ACID DEGRADATION XANTHINE INHIBITION ASPERGILLUS FLAVUS PEROXISOME PURINE METABOLISM
Ref.: NEAR-ATOMIC RESOLUTION STRUCTURES OF URATE OXIDASE WITH ITS SUBSTRATE AND ANALOGUES: THE PROTONATION S THE LIGAND. ACTA CRYSTALLOGR.,SECT.D V. 66 714 2010
Members (51)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 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....
70% Homology Family (51)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 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....
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: XAN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 XAN 1 1
2 290 0.4375 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3L8W; Ligand: XAN; Similar sites found with APoc: 35
This union binding pocket(no: 1) in the query (biounit: 3l8w.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1QKQ MAN None
2 2XOC ADP 2.29885
3 3WV6 GAL GLC 2.7027
4 4K55 H6P 3.22581
5 2Y91 98J 3.39623
6 5L2R MLA 3.71622
7 3S6X SIA GAL BGC 3.71622
8 1A78 TDG 3.73134
9 5NM7 GLY 3.7594
10 5H9Q TD2 3.87097
11 3IVV ASP GLU VAL THR SER THR THR SER SER SER 4.05405
12 5VKM GAL SIA 4.05405
13 6A63 LAT 4.34783
14 5H9P TD2 4.43038
15 3ZXE PGZ 4.51128
16 5GLT BGC GAL NAG GAL 4.72973
17 5FJJ MAN 4.72973
18 5Z5I XYP 4.72973
19 3WG3 A2G GAL NAG FUC 5.05618
20 1ULE GLA GAL NAG 5.33333
21 2YMZ LAT 5.38462
22 1I1E DM2 5.40541
23 3M3E GAL A2G NPO 5.59006
24 5NLD LBT 5.7554
25 3I8T LBT 6.09756
26 2C3H GLC GLC 6.12245
27 4Y24 TD2 6.49351
28 2FOJ GLY ALA ARG ALA HIS SER SER 7.09677
29 3OYW TDG 8.20895
30 3QRC SCR 8.28025
31 5T7I LAT NAG GAL 9.03226
32 3N29 GOL 9.45946
33 4WVW SLT 10.4167
34 1LSH PLD 11.8243
35 4HN1 TDR 13.4328
Pocket No.: 2; Query (leader) PDB : 3L8W; Ligand: XAN; 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: 3l8w.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3L8W; Ligand: XAN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3l8w.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3L8W; Ligand: XAN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3l8w.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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