Receptor
PDB id Resolution Class Description Source Keywords
4AF5 1.9 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF THE C. GLUTAMICUM ACNR CRYSTAL FORM I CORYNEBACTERIUM GLUTAMICUM TRANSCRIPTION ACONITASE TETR REPRESSOR
Ref.: CRYSTAL AND SOLUTION STUDIES REVEAL THAT THE TRANSCRIPTIONAL REGULATOR ACNR OF CORYNEBACTERIUM GLUTAMICUM IS REGULATED BY CITRATE:MG2+ BINDING TO CANONICAL POCKET. J.BIOL.CHEM. V. 288 15800 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:1187;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
CIT A:1188;
Valid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4AF5 1.9 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF THE C. GLUTAMICUM ACNR CRYSTAL FORM I CORYNEBACTERIUM GLUTAMICUM TRANSCRIPTION ACONITASE TETR REPRESSOR
Ref.: CRYSTAL AND SOLUTION STUDIES REVEAL THAT THE TRANSCRIPTIONAL REGULATOR ACNR OF CORYNEBACTERIUM GLUTAMICUM IS REGULATED BY CITRATE:MG2+ BINDING TO CANONICAL POCKET. J.BIOL.CHEM. V. 288 15800 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 4AF5 - 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 247 families.
1 4AF5 - 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 209 families.
1 4AF5 - 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 : 4AF5; 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: 4af5.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4AF5; 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: 4af5.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback