Receptor
PDB id Resolution Class Description Source Keywords
1R6W 1.62 Å EC: 4.2.1.- CRYSTAL STRUCTURE OF THE K133R MUTANT OF O-SUCCINYLBENZOATE SYNTHASE (OSBS) FROM ESCHERICHIA COLI. COMPLEX WITH SHCHC ESCHERICHIA COLI ENOLASE SUPERFAMILY; TIM BARREL; CAPPING ALPHA+BETA DOMAIN LYASE
Ref.: EVOLUTION OF ENZYMATIC ACTIVITY IN THE ENOLASE SUPERFAMILY: STRUCTURAL AND MUTAGENIC STUDIES OF THE MECHANISM OF THE REACTION CATALYZED BY O-SUCCINYLBENZOATE SYNTHASE FROM ESCHERICHIA COLI BIOCHEMISTRY V. 42 14427 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
164 A:735;
Valid;
none;
submit data
240.209 C11 H12 O6 C1=C[...
MG A:736;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1R6W 1.62 Å EC: 4.2.1.- CRYSTAL STRUCTURE OF THE K133R MUTANT OF O-SUCCINYLBENZOATE SYNTHASE (OSBS) FROM ESCHERICHIA COLI. COMPLEX WITH SHCHC ESCHERICHIA COLI ENOLASE SUPERFAMILY; TIM BARREL; CAPPING ALPHA+BETA DOMAIN LYASE
Ref.: EVOLUTION OF ENZYMATIC ACTIVITY IN THE ENOLASE SUPERFAMILY: STRUCTURAL AND MUTAGENIC STUDIES OF THE MECHANISM OF THE REACTION CATALYZED BY O-SUCCINYLBENZOATE SYNTHASE FROM ESCHERICHIA COLI BIOCHEMISTRY V. 42 14427 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1R6W - 164 C11 H12 O6 C1=C[C@H](....
2 1FHV - OSB C11 H10 O5 c1ccc(c(c1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1R6W - 164 C11 H12 O6 C1=C[C@H](....
2 1FHV - OSB C11 H10 O5 c1ccc(c(c1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1R6W - 164 C11 H12 O6 C1=C[C@H](....
2 1FHV - OSB C11 H10 O5 c1ccc(c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 164; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 164 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 164; Similar ligands found: 5
No: Ligand Similarity coefficient
1 OSB 0.8762
2 M7P 0.8706
3 SFF 0.8665
4 M6P 0.8660
5 RGG 0.8631
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1R6W; Ligand: 164; 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: 1r6w.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1R6W; Ligand: 164; 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: 1r6w.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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