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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 with APoc: 107
This union binding pocket(no: 1) in the query (biounit: 3wlv.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1X6V ADP 1.60256
2 5OJL TXP 1.67785
3 5K5Z ANP 1.92308
4 3PG7 PTY 1.95312
5 2HFN FMN 1.96078
6 2J0W ASP 2.00445
7 4U0O MTA 2.02703
8 3KV8 FAH 2.15827
9 3C8Z 5CA 2.24359
10 3W54 RNB 2.24359
11 3C3D FO1 2.2508
12 3K8D KDO 2.27273
13 4LRJ ANP 2.36686
14 1OMZ UD2 2.38908
15 5XKT GNP 2.5
16 3KDU NKS 2.52708
17 1TKK ALA GLU 2.5641
18 1ZOA 140 2.5641
19 4AF0 IMP 2.5641
20 5XNC MTA 2.5641
21 1L3I SAH 2.60417
22 5NXX 3Q7 2.61194
23 3ZOD HQE 2.6178
24 3ZOD FMN 2.6178
25 2HF9 GSP 2.65487
26 3Q2H QHF 2.6936
27 5FOM A2H 2.74914
28 1S17 GNR 2.77778
29 3VZ3 SSN 2.88462
30 3HBF MYC 2.88462
31 5G0H E1Z 2.88462
32 5N5S NAP 2.88462
33 3CIF G3H 2.88462
34 1I7L ATP 2.91262
35 5FAG PPI 2.92683
36 4EOX 0S5 2.95567
37 4M26 SIN 3.20513
38 4M26 ZZU 3.20513
39 5AE2 FAD 3.20513
40 1K3T BRZ 3.20513
41 3VPH OXM 3.22581
42 1Y13 BIO 3.31492
43 3VRV YSD 3.32103
44 1HZP DAO 3.52564
45 4WOP CTP 3.55556
46 1F28 F89 3.7037
47 3DUV KDO 3.81679
48 4YWV SSN 3.84615
49 5EF7 5OJ 3.84615
50 2ZRU FMN 3.84615
51 3TDV GDP 3.92157
52 2IMF GSH 3.94089
53 2IMF TOM 3.94089
54 5M06 ADP 3.98551
55 1M5W DXP 4.11523
56 4ZUL UN1 4.16667
57 5W19 9TD 4.16667
58 1RJW ETF 4.16667
59 4KBS PX2 4.18605
60 1RM0 NAI 4.48718
61 4ZAC 4LU 4.48718
62 4LNU GTP 4.7191
63 3EWR APR 4.7619
64 2OFW ADX 4.80769
65 1NVM NAD 4.80769
66 2BD0 BIO 4.91803
67 2AF6 BRU 5.03876
68 1NBU PH2 5.04202
69 4AZW ATP 5.12821
70 3OTI C0T 5.44872
71 2PHN GDP 5.51181
72 1FKB RAP 5.60748
73 3QF7 ANP 5.76923
74 4V3C C 6.73077
75 1YAG ATP 6.73077
76 5LJ0 6XX 6.92308
77 5YEE ATP 7.05128
78 2A42 ATP 7.05128
79 2FF3 ATP 7.05128
80 4PKG ATP 7.05128
81 5T2U NAP 7.25806
82 1SQL GUN 8.21918
83 5LW0 AR6 8.22511
84 1VQ2 DDN 8.29016
85 5BXV MGP 8.33333
86 1G27 BB1 8.33333
87 1EJH M7G 8.42105
88 4NTM 2K8 9.09091
89 3GGU 017 9.09091
90 5O4F 8VE 9.30233
91 4PL8 ATP 9.58904
92 2ZYJ PGU 10.5769
93 1KXP ATP 11.2179
94 4JE7 BB2 11.6751
95 3RYC GTP 11.8881
96 2HVW DDN 11.9565
97 6AM8 PLT 12.1795
98 5DEP UD1 12.4031
99 6AMI TRP 12.5
100 5FH7 5XL 12.9032
101 1W6S PQQ 13.5135
102 4ZAD 4LU 14.1026
103 5TZJ UD1 16.0256
104 4EFH ADP 16.6667
105 4GJ3 0XP 16.8874
106 4B1X ATP 21.875
107 3MN5 ATP 28.9474
Pocket No.: 2; Query (leader) PDB : 3WLV; Ligand: AZA; Similar sites found with APoc: 24
This union binding pocket(no: 2) in the query (biounit: 3wlv.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4DR9 BB2 1.04167
2 4WAS NAP 1.60256
3 4USF 6UI 1.97368
4 6AYI C3G 2.01005
5 5T8O 76Z 3.20513
6 2WLG SOP 3.25581
7 1YC4 43P 3.40909
8 2ZYI STE 3.84615
9 2C6Q IMP 4.48718
10 2RKV COA 5.12821
11 2PK3 GDD 5.919
12 5E4R 40E 6.73077
13 4XDZ 40E 6.73077
14 2WFG ZZB 8.42912
15 4B0T ADP 8.65385
16 3MN6 ATP 8.97436
17 1DAK DPU 10.7143
18 1DAK ADP 10.7143
19 5LXT ACP 11.8881
20 6CUZ FEV 12.5
21 5K2M ADP 13.2075
22 3A7R LAQ 16.0256
23 3VPB ADP 17.8571
24 4FGC PQ0 19.3939
Pocket No.: 3; Query (leader) PDB : 3WLV; Ligand: AZA; Similar sites found with APoc: 7
This union binding pocket(no: 3) in the query (biounit: 3wlv.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5GP0 GPP 2.68456
2 4M5P FMN 3.84615
3 5IN3 G1P 4.80769
4 1ZC9 PMP 6.41026
5 5XJ8 NKO 7.46269
6 4UDB CV7 9.61539
7 1WPY BTN 10.6383
Pocket No.: 4; Query (leader) PDB : 3WLV; Ligand: AZA; Similar sites found with APoc: 19
This union binding pocket(no: 4) in the query (biounit: 3wlv.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4GKV NAD 1.60256
2 4ZA8 F5C 1.60256
3 4ZA8 FZZ 1.60256
4 4ZA8 4LU 1.60256
5 3VRY B43 1.92308
6 5MR6 FAD 2.24359
7 4K2M O1G 2.24359
8 2O07 SPD 3.61842
9 2O07 MTA 3.61842
10 3M6P BB2 3.62694
11 2RKV ZBA 5.12821
12 4JNA FAD 5.44872
13 3HRD MCN 5.74324
14 4XTX 590 6.73077
15 1JQ3 AAT 8.10811
16 4JWH SAH 8.97436
17 2A2C NG1 10.8974
18 2A2C ADP 10.8974
19 4C4P GNP 12.7168
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