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Receptor
PDB id Resolution Class Description Source Keywords
1UWZ 1.99 Å EC: 3.5.4.5 BACILLUS SUBTILIS CYTIDINE DEAMINASE WITH AN ARG56 - ALA SUB BACILLUS SUBTILIS CYTIDINE DEAMINASE CDD TETRAMER ZINC BINDING PYRIMIDINE METABOLISM SALVAGE HYDROLASE
Ref.: STRUCTURAL, KINETIC, AND MUTATIONAL STUDIES OF THE ENVIRONMENT IN TETRAMERIC CYTIDINE DEAMINASE BIOCHEMISTRY V. 43 6020 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
THU A:138;
B:138;
Valid;
Valid;
none;
none;
submit data
230.218 C9 H14 N2 O5 C1CN(...
ZN A:1131;
B:1131;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UWZ 1.99 Å EC: 3.5.4.5 BACILLUS SUBTILIS CYTIDINE DEAMINASE WITH AN ARG56 - ALA SUB BACILLUS SUBTILIS CYTIDINE DEAMINASE CDD TETRAMER ZINC BINDING PYRIMIDINE METABOLISM SALVAGE HYDROLASE
Ref.: STRUCTURAL, KINETIC, AND MUTATIONAL STUDIES OF THE ENVIRONMENT IN TETRAMERIC CYTIDINE DEAMINASE BIOCHEMISTRY V. 43 6020 2004
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1UX1 - THU C9 H14 N2 O5 C1CN(C(=O)....
2 1JTK - THU C9 H14 N2 O5 C1CN(C(=O)....
3 1UX0 - THU C9 H14 N2 O5 C1CN(C(=O)....
4 1UWZ - THU C9 H14 N2 O5 C1CN(C(=O)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1UX1 - THU C9 H14 N2 O5 C1CN(C(=O)....
2 1JTK - THU C9 H14 N2 O5 C1CN(C(=O)....
3 1UX0 - THU C9 H14 N2 O5 C1CN(C(=O)....
4 1UWZ - THU C9 H14 N2 O5 C1CN(C(=O)....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1UX1 - THU C9 H14 N2 O5 C1CN(C(=O)....
2 1JTK - THU C9 H14 N2 O5 C1CN(C(=O)....
3 1UX0 - THU C9 H14 N2 O5 C1CN(C(=O)....
4 1UWZ - THU C9 H14 N2 O5 C1CN(C(=O)....
5 2FR6 - URI C9 H12 N2 O6 C1=CN(C(=O....
6 1ZAB - URD C10 H13 N O6 C1C(=O)C=C....
7 2FR5 - TYU C9 H16 N2 O6 C1CN(C(=O)....
8 1MQ0 - BRD C10 H14 N2 O5 C1=CNC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: THU; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 THU 1 1
2 UMC 0.666667 0.852941
3 DUR 0.428571 0.935484
4 H2U 0.4 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UWZ; Ligand: THU; Similar sites found with APoc: 37
This union binding pocket(no: 1) in the query (biounit: 1uwz.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 1VQ2 DDN None
2 3UYW TAU None
3 3LL5 IP8 None
4 5FUI APY None
5 5K4W THR 1.47059
6 3CGD FAD 2.20588
7 3CGD COA 2.20588
8 3VPD CIT 2.20588
9 2HVW DDN 2.94118
10 3B9Z CO2 2.94118
11 1GQ2 OXL 2.94118
12 1PX8 XYP 2.94118
13 5OMY 9YE 4.41176
14 5XKR BZE 5.14706
15 4GLW NMN 5.14706
16 2Y7P SAL 5.14706
17 5A9A UTP 5.88235
18 4D4U FUC GAL NAG 5.88235
19 6DW2 HD4 5.88235
20 2HRL SIA GAL SIA BGC NGA CEQ 6.29921
21 4LCN GNG 6.61765
22 2QK4 ATP 6.61765
23 5WXU FLC 8.08823
24 5W1E PHB 8.08823
25 1XSE NDP 8.08823
26 4A4Z ANP 8.82353
27 3B8X G4M 8.82353
28 2ZJ5 ADP 9.55882
29 5L2R MLA 11.0294
30 1LSH PLD 11.7647
31 3PPQ CHT 13.9706
32 4YHY M3L 14.7059
33 6C90 ADP 16.1765
34 2VL1 GLY GLY 16.9118
35 1P6O HPY 21.3235
36 3IWD M2T 25.8065
37 2Z3H BLO 42.3077
Pocket No.: 2; Query (leader) PDB : 1UWZ; Ligand: THU; 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: 1uwz.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1UWZ; Ligand: THU; Similar sites found with APoc: 5
This union binding pocket(no: 3) in the query (biounit: 1uwz.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 2F7A BEZ None
2 1JPA ANP 7.35294
3 1SZ2 BGC 8.08823
4 5ZQ4 AMP 10.2564
5 3CV2 OXL 15.4412
Pocket No.: 4; Query (leader) PDB : 1UWZ; Ligand: THU; 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: 1uwz.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
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