Receptor
PDB id Resolution Class Description Source Keywords
6B21 2.45 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF AMTB FROM E. COLI BOUND TO TOPFLUOR CAR ESCHERICHIA COLI AMMONIA CHANNEL AMTB CARDIOLIPIN TRANSPORTER MEMBRANE PR
Ref.: ALLOSTERY REVEALED WITHIN LIPID BINDING EVENTS TO M PROTEINS. PROC. NATL. ACAD. SCI. V. 115 2976 2018 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
C9V A:501;
 Valid;
 none;
 submit data
1551.74 C82 H139 B F2 N2 O18 P2 [B-]1...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6B21 2.45 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF AMTB FROM E. COLI BOUND TO TOPFLUOR CAR ESCHERICHIA COLI AMMONIA CHANNEL AMTB CARDIOLIPIN TRANSPORTER MEMBRANE PR
Ref.: ALLOSTERY REVEALED WITHIN LIPID BINDING EVENTS TO M PROTEINS. PROC. NATL. ACAD. SCI. V. 115 2976 2018 U.S.A.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6B21 - C9V C82 H139 B F2 N2 O18 P2 [B-]1(n2c(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6B21 - C9V C82 H139 B F2 N2 O18 P2 [B-]1(n2c(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6B21 - C9V C82 H139 B F2 N2 O18 P2 [B-]1(n2c(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: C9V; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 C9V 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: C9V; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6B21; Ligand: C9V; 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: 6b21.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6B21; Ligand: C9V; 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: 6b21.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6B21; Ligand: C9V; 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: 6b21.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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