Receptor
PDB id Resolution Class Description Source Keywords
4AU1 1.45 Å EC: 5.4.1.2 CRYSTAL STRUCTURE OF COBH (PRECORRIN-8X METHYL MUTASE) COMPLEXED WITH C5 DESMETHYL-HBA RHODOBACTER CAPSULATUS ISOMERASE PRECORRIN HBA
Ref.: AN ENZYME-TRAP APPROACH ALLOWS ISOLATION OF INTERME IN COBALAMIN BIOSYNTHESIS NAT.CHEM.BIOL. V. 8 933 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
P8X A:1210;
 Valid;
 none;
 submit data
866.95 C44 H58 N4 O14 C[C@@...
SO4 A:1211;
 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
4FDV 1.68 Å EC: 5.4.1.2 COBH FROM RHODOBACTER CAPSULATUS (SB1003) IN COMPLEX WITH HB RHODOBACTER CAPSULATUS DOUBLY WOUND SHEET SIGMATROPHIC REARRANGEMENT HYDROGENOBYRACID ISOMERASE
Ref.: AN ENZYME-TRAP APPROACH ALLOWS ISOLATION OF INTERME COBALAMIN BIOSYNTHESIS. NAT.CHEM.BIOL. V. 8 933 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4FDV - 0UK C45 H62 N4 O14 C[C@@H]1[C....
2 4AU1 - P8X C44 H58 N4 O14 C[C@@H]1C2....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4FDV - 0UK C45 H62 N4 O14 C[C@@H]1[C....
2 4AU1 - P8X C44 H58 N4 O14 C[C@@H]1C2....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4FDV - 0UK C45 H62 N4 O14 C[C@@H]1[C....
2 4AU1 - P8X C44 H58 N4 O14 C[C@@H]1C2....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: P8X; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 P8X 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: P8X; Similar ligands found: 1
No: Ligand Similarity coefficient
1 0UK 0.9760
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4FDV; Ligand: 0UK; 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: 4fdv.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4FDV; Ligand: 0UK; 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: 4fdv.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
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