Receptor
PDB id Resolution Class Description Source Keywords
4C9G 2.49 Å NON-ENZYME: OTHER STRUCTURE OF YEAST MITOCHONDRIAL ADP/ATP CARRIER ISOFORM 2 I BY CARBOXYATRACTYLOSIDE (C2221 CRYSTAL FORM) SACCHAROMYCES CEREVISIAE MITOCHONDRIAL CARRIER ADP/ATP CARRIER TRANSPORT PROTEIN
Ref.: STRUCTURES OF YEAST MITOCHONDRIAL ADP/ATP CARRIERS DOMAIN-BASED ALTERNATING-ACCESS TRANSPORT MECHANISM PROC.NATL.ACAD.SCI.USA V. 111 E426 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CDL A:800;
A:802;
A:801;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
1464.04 C81 H156 O17 P2 CCCCC...
BNG A:1310;
 Invalid;
 none;
 submit data
306.395 C15 H30 O6 CCCCC...
CXT A:401;
 Valid;
 none;
 submit data
770.816 C31 H46 O18 S2 CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4C9G 2.49 Å NON-ENZYME: OTHER STRUCTURE OF YEAST MITOCHONDRIAL ADP/ATP CARRIER ISOFORM 2 I BY CARBOXYATRACTYLOSIDE (C2221 CRYSTAL FORM) SACCHAROMYCES CEREVISIAE MITOCHONDRIAL CARRIER ADP/ATP CARRIER TRANSPORT PROTEIN
Ref.: STRUCTURES OF YEAST MITOCHONDRIAL ADP/ATP CARRIERS DOMAIN-BASED ALTERNATING-ACCESS TRANSPORT MECHANISM PROC.NATL.ACAD.SCI.USA V. 111 E426 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4C9G - CXT C31 H46 O18 S2 CC(C)CC(=O....
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 4C9G - CXT C31 H46 O18 S2 CC(C)CC(=O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 1OKC - CXT C31 H46 O18 S2 CC(C)CC(=O....
2 4C9G - CXT C31 H46 O18 S2 CC(C)CC(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CXT; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CXT 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: CXT; 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 : 4C9G; Ligand: CXT; 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: 4c9g.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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