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Receptor
PDB id Resolution Class Description Source Keywords
4LCQ 1.81 Å EC: 7.-.-.- THE CRYSTAL STRUCTURE OF DI-ZN DIHYDROPYRIMIDINASE IN COMPLE NCBI TETRAODON NIGROVIRIDIS HYDROLASE ZINC BINDING CARBOXYLATION ALPHA-BETA BARREL HACTIVATOR
Ref.: CRYSTAL STRUCTURES OF VERTEBRATE DIHYDROPYRIMIDINAS COMPLEXES FROM TETRAODON NIGROVIRIDIS WITH LYSINE CARBAMYLATION: METAL AND STRUCTURAL REQUIREMENTS FO POST-TRANSLATIONAL MODIFICATION AND FUNCTION. J.BIOL.CHEM. V. 288 30645 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:602;
A:601;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
URQ A:603;
Valid;
none;
submit data
146.144 C5 H10 N2 O3 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LCQ 1.81 Å EC: 7.-.-.- THE CRYSTAL STRUCTURE OF DI-ZN DIHYDROPYRIMIDINASE IN COMPLE NCBI TETRAODON NIGROVIRIDIS HYDROLASE ZINC BINDING CARBOXYLATION ALPHA-BETA BARREL HACTIVATOR
Ref.: CRYSTAL STRUCTURES OF VERTEBRATE DIHYDROPYRIMIDINAS COMPLEXES FROM TETRAODON NIGROVIRIDIS WITH LYSINE CARBAMYLATION: METAL AND STRUCTURAL REQUIREMENTS FO POST-TRANSLATIONAL MODIFICATION AND FUNCTION. J.BIOL.CHEM. V. 288 30645 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 4LCQ - URQ C5 H10 N2 O3 C[C@@H](CN....
2 4LCR - URP C4 H8 N2 O3 C(CNC(=O)N....
3 4LCS - HYN C3 H4 N2 O2 C1C(=O)NC(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4LCQ - URQ C5 H10 N2 O3 C[C@@H](CN....
2 4LCR - URP C4 H8 N2 O3 C(CNC(=O)N....
3 4LCS - HYN C3 H4 N2 O2 C1C(=O)NC(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 4LCQ - URQ C5 H10 N2 O3 C[C@@H](CN....
2 4LCR - URP C4 H8 N2 O3 C(CNC(=O)N....
3 4LCS - HYN C3 H4 N2 O2 C1C(=O)NC(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: URQ; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 URQ 1 1
2 CDV 0.40625 0.638889
3 UGC 0.4 0.648649
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4LCQ; Ligand: URQ; Similar sites found with APoc: 40
This union binding pocket(no: 1) in the query (biounit: 4lcq.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4W6Z 8ID 1.15274
2 1ZOA 140 1.90275
3 2IO8 ADP 2.5
4 1RM0 NAI 2.5
5 1RQ5 CTT 2.62295
6 2GZ3 NAP 2.73224
7 2EG7 OTD 2.88184
8 4JX1 CAH 2.89157
9 1U1I NAD 3.06122
10 3WIR BGC 3.07692
11 5ND5 TPP 3.26923
12 4QDF 30Q 3.33333
13 1ITZ TPP 3.46154
14 2YLN CYS 3.53357
15 1A78 TDG 3.73134
16 1K7W AS1 3.84615
17 2Q0D ATP 4.24929
18 3EWC MCF 4.31267
19 1E4E PHY 4.66472
20 5Y02 MXN 4.6729
21 2FLI DX5 5
22 4GQP B40 5.22088
23 1QY1 PRZ 5.74713
24 5D2R 56W 5.92255
25 2PK3 GDD 6.23053
26 5AIP 4HP 6.84932
27 2AMT GPP 6.91824
28 5U98 1KX 7.07071
29 1W6M GAL 7.46269
30 3OYW TDG 7.46269
31 3GIQ G01 8.125
32 2P53 NNG 11.5183
33 4YDU ADP 11.8143
34 4UBP HAE 12.6984
35 4BJH DOR 12.9386
36 1FWE HAE 20.7547
37 4C6F DOR 39.6947
38 4C6F NCD 39.6947
39 4YIW NCD 40.7982
40 2FVK DUC 49.4231
Pocket No.: 2; Query (leader) PDB : 4LCQ; Ligand: URQ; 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: 4lcq.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4LCQ; Ligand: URQ; 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: 4lcq.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4LCQ; Ligand: URQ; 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: 4lcq.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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