Receptor
PDB id Resolution Class Description Source Keywords
2B99 2.22 Å EC: 2.5.1.9 CRYSTAL STRUCTURE OF AN ARCHAEAL PENTAMERIC RIBOFLAVIN SYNTHASE COMPLEX WITH A SUBSTRATE ANALOG INHIBITOR METHANOCALDOCOCCUS JANNASCHII LUMAZINE RIBOFLAVIN TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF AN ARCHAEAL PENTAMERIC RIBOFLAVIN SYNTHASE IN COMPLEX WITH A SUBSTRATE ANALOG INHIBITOR: STEREOCHEMICAL IMPLICATIONS J.BIOL.CHEM. V. 281 1224 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RDL A:1205;
A:1208;
B:1206;
B:1209;
B:1210;
C:1201;
C:1204;
D:1203;
E:1202;
E:1207;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
330.251 C11 H14 N4 O8 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2B99 2.22 Å EC: 2.5.1.9 CRYSTAL STRUCTURE OF AN ARCHAEAL PENTAMERIC RIBOFLAVIN SYNTHASE COMPLEX WITH A SUBSTRATE ANALOG INHIBITOR METHANOCALDOCOCCUS JANNASCHII LUMAZINE RIBOFLAVIN TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF AN ARCHAEAL PENTAMERIC RIBOFLAVIN SYNTHASE IN COMPLEX WITH A SUBSTRATE ANALOG INHIBITOR: STEREOCHEMICAL IMPLICATIONS J.BIOL.CHEM. V. 281 1224 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2B99 - RDL C11 H14 N4 O8 C([C@@H]([....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2B99 - RDL C11 H14 N4 O8 C([C@@H]([....
50% 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 2B99 - RDL C11 H14 N4 O8 C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RDL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 RDL 1 1
2 CRM 0.453333 0.927536
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2B99; Ligand: RDL; 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: 2b99.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2B99; Ligand: RDL; 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: 2b99.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2B99; Ligand: RDL; 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: 2b99.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2B99; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2b99.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2B99; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2b99.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2B99; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2b99.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2B99; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2b99.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2B99; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2b99.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2B99; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 2b99.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2B99; Ligand: RDL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 2b99.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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