Receptor
PDB id Resolution Class Description Source Keywords
1JCM 2.1 Å EC: 4.1.1.48 TRPC STABILITY MUTANT CONTAINING AN ENGINEERED DISULPHIDE BR IN COMPLEX WITH A CDRP-RELATED SUBSTRATE ESCHERICHIA COLI BETA-ALPHA-BARREL DISULPHIDE BRIDGE STABILITY MUTANT LYAS
Ref.: STABILIZATION OF A (BETAALPHA)8-BARREL PROTEIN BY A ENGINEERED DISULFIDE BRIDGE. EUR.J.BIOCHEM. V. 269 1145 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
137 P:400;
Valid;
none;
submit data
351.246 C12 H18 N O9 P c1ccc...
PO4 P:701;
P:702;
P:703;
P:704;
P:705;
P:706;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JCM 2.1 Å EC: 4.1.1.48 TRPC STABILITY MUTANT CONTAINING AN ENGINEERED DISULPHIDE BR IN COMPLEX WITH A CDRP-RELATED SUBSTRATE ESCHERICHIA COLI BETA-ALPHA-BARREL DISULPHIDE BRIDGE STABILITY MUTANT LYAS
Ref.: STABILIZATION OF A (BETAALPHA)8-BARREL PROTEIN BY A ENGINEERED DISULFIDE BRIDGE. EUR.J.BIOCHEM. V. 269 1145 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1JCM - 137 C12 H18 N O9 P c1ccc(c(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1JCM - 137 C12 H18 N O9 P c1ccc(c(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1JCM - 137 C12 H18 N O9 P c1ccc(c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 137; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 137 1 1
2 0VR 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 137; Similar ligands found: 1
No: Ligand Similarity coefficient
1 6EO 0.8622
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JCM; Ligand: 137; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 1jcm.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1LBF 137 44.9393
Pocket No.: 2; Query (leader) PDB : 1JCM; Ligand: 137; 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: 1jcm.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1JCM; Ligand: 137; 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: 1jcm.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1JCM; Ligand: 137; Similar sites found with APoc: 1
This union binding pocket(no: 4) in the query (biounit: 1jcm.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1LBF 137 44.9393
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