Receptor
PDB id Resolution Class Description Source Keywords
2VOH 1.9 Å NON-ENZYME: OTHER STRUCTURE OF MOUSE A1 BOUND TO THE BAK BH3-DOMAIN MUS MUSCULUS BH3 BCL-2 MEMBRANE APOPTOSIS PRO-SURVIVAL TRANSMEMBRANEPROTEIN-PROTEIN COMPLEX
Ref.: STRUCTURAL PLASTICITY UNDERPINS PROMISCUOUS BINDING PROSURVIVAL PROTEIN A1. STRUCTURE V. 16 818 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:1151;
Valid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
SO4 B:1088;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VOH 1.9 Å NON-ENZYME: OTHER STRUCTURE OF MOUSE A1 BOUND TO THE BAK BH3-DOMAIN MUS MUSCULUS BH3 BCL-2 MEMBRANE APOPTOSIS PRO-SURVIVAL TRANSMEMBRANEPROTEIN-PROTEIN COMPLEX
Ref.: STRUCTURAL PLASTICITY UNDERPINS PROMISCUOUS BINDING PROSURVIVAL PROTEIN A1. STRUCTURE V. 16 818 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 2VOH - 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 1312 families.
1 2VOH - 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 1130 families.
1 2VOH - 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 : 2VOH; 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: 2voh.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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