Receptor
PDB id Resolution Class Description Source Keywords
1KZL 2.1 Å EC: 2.5.1.9 RIBOFLAVIN SYNTHASE FROM S.POMBE BOUND TO CARBOXYETHYLLUMAZINE SCHIZOSACCHAROMYCES POMBE BIOSYNTHESIS OF RIBOFLAVIN RIBOFLAVIN SYNTHASE X-RAY STRUCTURE SCHIZOSACCHAROMYCES POMBE LIGAND BINDING TRANSFERASE
Ref.: STUDIES ON THE REACTION MECHANISM OF RIBOFLAVIN SYNTHASE; X-RAY CRYSTAL STRUCTURE OF A COMPLEX WITH 6-CARBOXYETHYL-7-OXO-8-RIBITYLLUMAZINE STRUCTURE V. 10 1371 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CRM A:501;
A:502;
 Valid;
Valid;
 none;
none;
 submit data
386.314 C14 H18 N4 O9 C(CC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1KZL 2.1 Å EC: 2.5.1.9 RIBOFLAVIN SYNTHASE FROM S.POMBE BOUND TO CARBOXYETHYLLUMAZINE SCHIZOSACCHAROMYCES POMBE BIOSYNTHESIS OF RIBOFLAVIN RIBOFLAVIN SYNTHASE X-RAY STRUCTURE SCHIZOSACCHAROMYCES POMBE LIGAND BINDING TRANSFERASE
Ref.: STUDIES ON THE REACTION MECHANISM OF RIBOFLAVIN SYNTHASE; X-RAY CRYSTAL STRUCTURE OF A COMPLEX WITH 6-CARBOXYETHYL-7-OXO-8-RIBITYLLUMAZINE STRUCTURE V. 10 1371 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1KZL - CRM C14 H18 N4 O9 C(CC(=O)O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1KZL - CRM C14 H18 N4 O9 C(CC(=O)O)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1KZL - CRM C14 H18 N4 O9 C(CC(=O)O)....
2 4GQN - INI C9 H14 N4 O8 C([C@@H]([....
3 4G6I - RS3 C18 H23 N5 O6 Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CRM; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 CRM 1 1
2 RDL 0.453333 0.927536
Similar Ligands (3D)
Ligand no: 1; Ligand: CRM; Similar ligands found: 2
No: Ligand Similarity coefficient
1 RBF 0.8617
2 DLZ 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1KZL; Ligand: CRM; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1kzl.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3A3B RBF 48.9474
2 3A3B FMN 48.9474
Pocket No.: 2; Query (leader) PDB : 1KZL; Ligand: CRM; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 1kzl.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3A3B RBF 48.9474
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