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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 with APoc: 113
This union binding pocket(no: 1) in the query (biounit: 1vay.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2PT9 2MH None
2 2PT9 S4M None
3 2AZC 3TL None
4 4WKI 3PW 0.851064
5 2A3I C0R 1.18577
6 3VPH OXM 1.39373
7 1JT2 FER 1.49254
8 4P3H 25G 1.5544
9 4XTX 590 1.85185
10 4M26 ZZU 2.09059
11 2J0W ASP 2.09059
12 4M26 SIN 2.09059
13 4P6X HCY 2.35294
14 1HXD BTN 2.43902
15 4JNA FAD 2.43902
16 2RKV ZBA 2.43902
17 2ZXG S23 2.43902
18 1NBU PH2 2.52101
19 5NNA BZM 2.65152
20 4WOP CTP 2.66667
21 6H3O FAD 2.78746
22 2ZYI STE 2.78746
23 5XNC MTA 2.78746
24 4YWV SSN 2.78746
25 6AM8 PLT 2.78746
26 1I7L ATP 3.13589
27 2IZ1 ATR 3.13589
28 4B7X NAP 3.13589
29 2HVW DDN 3.26087
30 3G5K BB2 3.27869
31 4ZUL UN1 3.48432
32 2NYA MGD 3.48432
33 3DLG GWE 3.48432
34 3Q2H QHF 3.48432
35 3T1A 5MA 3.48432
36 4E2J MOF 3.6
37 3GN8 DEX 3.61446
38 2C6Q IMP 3.83275
39 1BB6 UMG 3.87597
40 3FV1 DYH 3.90625
41 4EOX 0S5 3.94089
42 2ED4 FAD 4.02685
43 2FXD DR7 4.0404
44 2BD0 BIO 4.09836
45 4YMX ARG 4.23077
46 5CMK GLU 4.2471
47 5MTE BB2 4.37956
48 4Z0G 5GP 4.52962
49 3UWB BB2 4.54545
50 4LRJ ANP 4.73373
51 3Q87 SAM 4.8
52 2C1X UDP 4.87805
53 1FND FAD 4.87805
54 1FND A2P 4.87805
55 1YC4 43P 4.92424
56 3K8D KDO 4.92424
57 2Q1H AS4 5.2
58 5OJL TXP 5.22648
59 4B1V ATP 5.22648
60 4B1V LAB 5.22648
61 1GTE FMN 5.22648
62 1GTE IUR 5.22648
63 1GAW FAD 5.22648
64 1KXP ATP 5.22648
65 2FF3 ATP 5.22648
66 4Q4K FMN 5.22648
67 4ITU NAI 5.57621
68 4LCN GNG 5.58376
69 3EYA TDP 5.92335
70 1NVM NAD 5.92335
71 4U0O MTA 5.92335
72 1G2N EPH 6.06061
73 3TDV GDP 6.27178
74 3H4T UDP 6.27178
75 1FK5 OLA 6.45161
76 3BP1 GUN 6.62021
77 2GFD RDA 6.77966
78 1PK8 ATP 6.96864
79 4JE7 BB2 7.1066
80 1X87 NAD 7.31707
81 3HRD MCN 7.5
82 2A3Z ATP 7.69231
83 5HCV 60R 7.7821
84 2E2R 2OH 7.78689
85 1N8V BDD 8.03571
86 2HMT NAI 8.33333
87 3CIP ATP 8.59375
88 5TVM PUT 8.77193
89 4UDB CV7 9.19118
90 5XFV FMN 10.1045
91 5FAG PPI 10.453
92 5G5W R8C 11.4286
93 5EYK 5U5 11.8644
94 1S7N COA 12.0879
95 3F5O UOC COA 12.1622
96 1M2Z DEX 12.4514
97 1RM6 FAD 12.5436
98 1VPV PLM 13.3333
99 1SQL GUN 13.6986
100 3KV8 FAH 14.3885
101 5LJ0 6XX 14.6154
102 3M6P BB2 15.544
103 4DR9 BB2 15.625
104 3CGD COA 15.6794
105 3QF7 ANP 16
106 1RPN NDP 16.7247
107 2PHN GDP 16.9291
108 5HSA FAS 17.0732
109 5UC4 83S 17.2727
110 3SJH LAR 18.5185
111 3SJH ATP 18.5185
112 4POO SAM 26
113 1EJH M7G 31.25
Pocket No.: 2; Query (leader) PDB : 1VAY; Ligand: AZA; Similar sites found with APoc: 83
This union binding pocket(no: 2) in the query (biounit: 1vay.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2I7C AAT None
2 4KBS PX2 1.39535
3 1RM0 NAI 1.74216
4 5FOM A2H 1.74216
5 6FYZ EBE 1.74216
6 3KA2 2NC 1.97044
7 3ZNR NU9 2.09059
8 4D9M 0JO 2.09059
9 5UR6 8KM 2.20994
10 2RKV COA 2.43902
11 1OMZ UD2 2.43902
12 3A7R LAQ 2.43902
13 4P53 NAI 2.43902
14 4B7P 9UN 2.6087
15 2YI0 YI0 2.62009
16 1Y1A GSH 2.73224
17 3HBF MYC 2.78746
18 3C8Z 5CA 2.78746
19 4ZLU 4PW 2.78746
20 3DUV KDO 3.05344
21 4XCL AGS 3.0888
22 4WAS COO 3.13589
23 2ZYJ PGU 3.13589
24 4IMG NGF 3.13589
25 5YU3 NAD 3.13589
26 5YU3 PRO 3.13589
27 2E7Z MGD 3.13589
28 6FKW PQQ 3.13589
29 2HK9 NAP 3.27273
30 1ZUW DGL 3.30882
31 1K3T BRZ 3.48432
32 4ZAD 4LU 3.48432
33 5T8O 76Z 3.48432
34 5T2U NAP 3.62903
35 5UFS 1TA 3.62903
36 1IHU ADP 3.83275
37 1IHU AF3 3.83275
38 3N17 NAG NAG 3.83275
39 1LDM NAD 3.83275
40 2AF6 BRU 3.87597
41 4R81 FMN 3.8835
42 4AT0 FAD 3.92157
43 5FH7 5XL 4.03226
44 3GGU 017 4.0404
45 5K4W THR 4.18118
46 1X7D NAD 4.18118
47 6CEP NAD 4.18118
48 1Y0G 8PP 4.18848
49 4H4D 10E 4.52962
50 2Z6C FMN 4.65116
51 3A4V PYR 4.87805
52 3A4V NAD 4.87805
53 1Y13 BIO 4.97238
54 2IMI GSH 4.97738
55 4M8X KGQ 5.05051
56 3WSJ MK1 5.17241
57 3ML1 MGD 5.22648
58 4B1W ATP 5.22648
59 2V51 ATP 5.22648
60 3U9Z ADP 5.22648
61 3JZ4 NAP 5.22648
62 4J4H NAI 5.79151
63 4GJ3 0XP 5.92335
64 5WRJ A3P 5.92335
65 1YIQ PQQ 6.62021
66 1LTH NAD 6.62021
67 3SM2 478 7.57576
68 4CBU ATP 7.87402
69 1LYB IVA VAL VAL STA ALA STA 7.88382
70 4DK7 0KS 8.50202
71 1YAG ATP 8.8
72 1YKJ FAD 9.05923
73 2HJR APR 9.7561
74 1VLJ NAP 10.1045
75 1KEV NDP 10.1045
76 1A5Z NAD 10.1045
77 3KLJ FAD 10.453
78 1SIV PSI 11.1111
79 5LXT GTP 11.1888
80 4LSJ LSJ 12.4031
81 4JWH SAH 13.2404
82 5AE2 FAD 18.8153
83 5AE2 FYC 18.8153
Pocket No.: 3; Query (leader) PDB : 1VAY; Ligand: AZA; Similar sites found with APoc: 39
This union binding pocket(no: 3) in the query (biounit: 1vay.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3VPH NAD 1.39373
2 1WPY BTN 1.70213
3 1U7Z PMT 1.76991
4 3MKN DNB 2.09059
5 6CUZ FEV 2.78746
6 5BUK FAD 3.13589
7 1UM0 FMN 3.13589
8 5TZJ UD1 3.13589
9 2WMC MGP 3.37079
10 3KCC CMP 3.46154
11 5O4J SAH 3.64964
12 5O4J 9KH 3.64964
13 2C6Q NDP 3.83275
14 5EPA AKG 3.94265
15 4NJS G08 4.0404
16 6C8X BVR 4.0404
17 1JQ3 AAT 4.18118
18 3C3D FO1 4.18118
19 4I54 1C1 4.52962
20 4EFH ADP 4.54545
21 2PGJ N1C 4.58015
22 2ZXI FAD 4.87805
23 1DEK DGP 5.39419
24 5UMY TNN 5.71429
25 1MV8 NAD 5.92335
26 1MUU NAD 5.92335
27 4RPL FAD 6.96864
28 4RPL 3UC 6.96864
29 1V8B NAD 6.96864
30 4ELG 52J 7.22892
31 2OBF F83 7.31707
32 2OBF SAH 7.31707
33 4OBW SAM 7.31707
34 5JE8 NAD 7.31707
35 2IV2 MGD 7.66551
36 1IDA 0PO 13.1313
37 3C0G 3AM 14.2857
38 2QTR NXX 15.873
39 3SXN COA 20.2091
Pocket No.: 4; Query (leader) PDB : 1VAY; Ligand: AZA; Similar sites found with APoc: 35
This union binding pocket(no: 4) in the query (biounit: 1vay.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1UUO FMN 1.74216
2 1UUO ORO 1.74216
3 2Z3U CRR 1.74216
4 5IQT 6CU 2.43902
5 5IQT AKG 2.43902
6 4PKI ATP 2.78746
7 3WDM ADN 3.06513
8 4BLW AMP 3.13589
9 4BLW SAH 3.13589
10 1P1C SAH 3.51759
11 2O4N TPV 4.0404
12 4PL8 ATP 4.10959
13 4QVX 3CQ 4.19162
14 2OKL BB2 4.32432
15 5YPU ATP 5.22648
16 2FF6 ATP 5.22648
17 5MR6 FAD 5.57491
18 1KEW NAD 5.57491
19 4PKG ATP 5.91398
20 4DHY S41 5.92335
21 4OIV XX9 6.19469
22 4FGC PQ0 6.66667
23 3C6K MTA 7.31707
24 3C6K SPD 7.31707
25 5GM1 SAH 7.31707
26 3KXC PLM 7.59494
27 4CBX ATP 7.87402
28 6EW3 S3C 8.18966
29 1ON3 MCA 8.7108
30 5ZZA ATP 10.7438
31 3RUV ANP 11.8467
32 3RYC GTP 13.2867
33 5YEE ATP 14.7059
34 5ZZB ATP 14.7059
35 4LNU GTP 19.5266
Pocket No.: 5; Query (leader) PDB : 1VAY; Ligand: AZA; Similar sites found with APoc: 21
This union binding pocket(no: 5) in the query (biounit: 1vay.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1UUO BRF 1.74216
2 2PK3 GDD 1.74216
3 2Z6J FMN 1.74216
4 4QOM PYG 2.09059
5 4USF 6UI 2.43902
6 2PRG BRL 2.58303
7 4REP FAD 2.78746
8 5C2F JTH 3.23741
9 1R37 NAD 3.48432
10 4ZAC 4LU 3.48432
11 5H68 AGS 4.18118
12 5L13 6ZE 4.87805
13 1ZOA 140 5.22648
14 2P0D I3P 5.42636
15 6GXA TB8 6.96864
16 1QB7 ADE 9.32203
17 2IHK CSF 10.1045
18 5EXE 5SR 12.1951
19 3QV1 NAD 12.1951
20 1RSD PSB 16.5289
21 5EIB GTP 30.4348
Pocket No.: 6; Query (leader) PDB : 1VAY; Ligand: AZA; Similar sites found with APoc: 13
This union binding pocket(no: 6) in the query (biounit: 1vay.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3FSM 2NC 1.97044
2 4IPE ANP 2.09059
3 4W93 3L9 2.43902
4 1C0I FAD 3.13589
5 1C0I BE2 3.13589
6 5YVT NAI 3.83275
7 5T2Z 017 4.0404
8 5TS5 FAD 5.22648
9 1I8T FAD 5.57491
10 3EJR HN4 7.31707
11 5G5G FAD 8.36237
12 3WQQ IB3 12.1951
13 3WQQ NDP 12.1951
Pocket No.: 7; Query (leader) PDB : 1VAY; Ligand: AZA; Similar sites found with APoc: 13
This union binding pocket(no: 7) in the query (biounit: 1vay.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3MWS 017 None
2 5N5U 7N8 1.74216
3 6AMI TRP 2.78746
4 4WAS NAP 3.13589
5 4CYD CMP 4
6 3VZ3 SSN 4.18118
7 3MHP FAD 5.22648
8 1G27 BB1 5.95238
9 2R40 EPH 6.08365
10 2E0N SAH 6.17761
11 5V2J 7WV 7.66551
12 2IMP LAC 8.01394
13 4Y1B NAP 13.5889
Pocket No.: 8; Query (leader) PDB : 1VAY; Ligand: AZA; Similar sites found with APoc: 19
This union binding pocket(no: 8) in the query (biounit: 1vay.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3STK PLM None
2 3U7S 017 None
3 5M3E APR 1.81818
4 2AQX ATP 2.09059
5 3IO3 ADP 2.43902
6 5O4J PJL 3.64964
7 5EXW 7DT 3.83275
8 3S43 478 4.0404
9 6CEP OXM 4.18118
10 3RKR NAP 4.58015
11 2Q4V ACO 4.70588
12 1Q1R FAD 4.87805
13 5DV2 C5P 4.87805
14 3MN7 ATP 5.10204
15 1WUR 8DG 5.90909
16 3EYA FAD 5.92335
17 5O2T GSP 11.7647
18 5Z5I XYS 12.1951
19 5Z5I FUB 12.1951
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