Receptor
PDB id Resolution Class Description Source Keywords
1V7R 1.4 Å EC: 3.6.1.19 STRUCTURE OF NUCLEOTIDE TRIPHOSPHATE PYROPHOSPHATASE FROM PY HORIKOSHII OT3 PYROCOCCUS HORIKOSHII NTPASE STRUCTURAL GENOMICS RIKEN STRUCTURAL GENOMICS/PROTEINITIATIVE RSGI HYDROLASE
Ref.: STRUCTURES OF DIMERIC NONSTANDARD NUCLEOTIDE TRIPHO PYROPHOSPHATASE FROM PYROCOCCUS HORIKOSHII OT3: FUN SIGNIFICANCE OF INTERPROTOMER CONFORMATIONAL CHANGE J.MOL.BIOL. V. 375 1013 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:1200;
Valid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1V7R 1.4 Å EC: 3.6.1.19 STRUCTURE OF NUCLEOTIDE TRIPHOSPHATE PYROPHOSPHATASE FROM PY HORIKOSHII OT3 PYROCOCCUS HORIKOSHII NTPASE STRUCTURAL GENOMICS RIKEN STRUCTURAL GENOMICS/PROTEINITIATIVE RSGI HYDROLASE
Ref.: STRUCTURES OF DIMERIC NONSTANDARD NUCLEOTIDE TRIPHO PYROPHOSPHATASE FROM PYROCOCCUS HORIKOSHII OT3: FUN SIGNIFICANCE OF INTERPROTOMER CONFORMATIONAL CHANGE J.MOL.BIOL. V. 375 1013 2008
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2DVO - ITT C10 H15 N4 O14 P3 c1nc2c(c(n....
2 2DVN - IMP C10 H13 N4 O8 P c1nc2c(n1[....
3 1V7R - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2DVO - ITT C10 H15 N4 O14 P3 c1nc2c(c(n....
2 2DVN - IMP C10 H13 N4 O8 P c1nc2c(n1[....
3 1V7R - CIT C6 H8 O7 C(C(=O)O)C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2DVO - ITT C10 H15 N4 O14 P3 c1nc2c(c(n....
2 2DVN - IMP C10 H13 N4 O8 P c1nc2c(n1[....
3 1V7R - CIT C6 H8 O7 C(C(=O)O)C....
4 2MJP - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1V7R; Ligand: CIT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1v7r.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1V7R; Ligand: CIT; 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: 1v7r.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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