Receptor
PDB id Resolution Class Description Source Keywords
2Q4G 1.95 Å EC: 3.1.27.5 ENSEMBLE REFINEMENT OF THE PROTEIN CRYSTAL STRUCTURE OF HUMA RIBONUCLEASE INHIBITOR COMPLEXED WITH RIBONUCLEASE I HOMO SAPIENS ENSEMBLE REFINEMENT REFINEMENT METHODOLOGY DEVELOPMENT RIBONUCLEASE-INHIBITOR COMPLEX LEUCINE-RICH REPEAT ENZYMEINHIBITOR COMPLEX STRUCTURAL GENOMICS PROTEIN STRUCTURE INITIATIVE PSI CENTER FOR EUKARYOTIC STRUCTURAL GENOMICSHYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: INHIBITION OF HUMAN PANCREATIC RIBONUCLEASE BY THE RIBONUCLEASE INHIBITOR PROTEIN. J.MOL.BIOL. V. 368 434 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT X:900;
Valid;
none;
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192.124 C6 H8 O7 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Q4G 1.95 Å EC: 3.1.27.5 ENSEMBLE REFINEMENT OF THE PROTEIN CRYSTAL STRUCTURE OF HUMA RIBONUCLEASE INHIBITOR COMPLEXED WITH RIBONUCLEASE I HOMO SAPIENS ENSEMBLE REFINEMENT REFINEMENT METHODOLOGY DEVELOPMENT RIBONUCLEASE-INHIBITOR COMPLEX LEUCINE-RICH REPEAT ENZYMEINHIBITOR COMPLEX STRUCTURAL GENOMICS PROTEIN STRUCTURE INITIATIVE PSI CENTER FOR EUKARYOTIC STRUCTURAL GENOMICSHYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: INHIBITION OF HUMAN PANCREATIC RIBONUCLEASE BY THE RIBONUCLEASE INHIBITOR PROTEIN. J.MOL.BIOL. V. 368 434 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2Q4G - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2Q4G - CIT C6 H8 O7 C(C(=O)O)C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2Q4G - CIT C6 H8 O7 C(C(=O)O)C....
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 : 2Q4G; 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: 2q4g.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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