Receptor
PDB id Resolution Class Description Source Keywords
1OKC 2.2 Å NON-ENZYME: OTHER STRUCTURE OF MITOCHONDRIAL ADP/ATP CARRIER IN COMPLEX WITH CARBOXYATRACTYLOSIDE BOS TAURUS MITOCHONDRIAL TRANSPORTER NUCLEOTIDE TRANSLOCATION MEMBRANE PROTEIN CARRIER PROTEIN TRANSPORT PROTEIN
Ref.: STRUCTURE OF MITOCHONDRIAL ADP/ATP CARRIER IN COMPLEX WITH CARBOXYATRACTYLOSIDE NATURE V. 426 39 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CDL A:800;
A:801;
A:802;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
1464.04 C81 H156 O17 P2 CCCCC...
CXT A:401;
 Valid;
 none;
 submit data
770.816 C31 H46 O18 S2 CC(C)...
LDM A:903;
A:904;
 Invalid;
Invalid;
 none;
none;
 submit data
300.48 C17 H36 N2 O2 CCCCC...
PC1 A:980;
A:981;
A:982;
A:983;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
790.145 C44 H88 N O8 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OKC 2.2 Å NON-ENZYME: OTHER STRUCTURE OF MITOCHONDRIAL ADP/ATP CARRIER IN COMPLEX WITH CARBOXYATRACTYLOSIDE BOS TAURUS MITOCHONDRIAL TRANSPORTER NUCLEOTIDE TRANSLOCATION MEMBRANE PROTEIN CARRIER PROTEIN TRANSPORT PROTEIN
Ref.: STRUCTURE OF MITOCHONDRIAL ADP/ATP CARRIER IN COMPLEX WITH CARBOXYATRACTYLOSIDE NATURE V. 426 39 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 1OKC - 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 1OKC - 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 : 1OKC; 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: 1okc.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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