Receptor
PDB id Resolution Class Description Source Keywords
2Y85 2.4 Å EC: 5.3.1.24 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS PHOSPHORIBOS ISOMERASE WITH BOUND RCDRP MYCOBACTERIUM TUBERCULOSIS ISOMERASE BIFUNCTIONAL ENZYME TRYPTOPHAN BIOSYNTHESIS HISBIOSYNTHESIS TIM-BARREL AROMATIC AMINO ACID BIOSYNTHESIS
Ref.: BISUBSTRATE SPECIFICITY IN HISTIDINE/TRYPTOPHAN BIOSYNTHESIS ISOMERASE FROM MYCOBACTERIUM TUBERCULO ACTIVE SITE METAMORPHOSIS. PROC.NATL.ACAD.SCI.USA V. 108 3554 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
137 A:1247;
B:1247;
C:1247;
D:1247;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
351.246 C12 H18 N O9 P c1ccc...
CL A:1246;
B:1246;
C:1246;
D:1246;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
35.453 Cl [Cl-]
NA A:1245;
A:1248;
A:1249;
B:1245;
B:1248;
C:1245;
C:1248;
C:1249;
D:1245;
D:1248;
D:1249;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Y88 1.33 Å EC: 5.3.1.24 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS PHOSPHORIBOS ISOMERASE (VARIANT D11N) WITH BOUND PRFAR MYCOBACTERIUM TUBERCULOSIS AROMATIC AMINO ACID BIOSYNTHESIS ISOMERASE TIM-BARREL HISBIOSYNTHESIS TRYPTOPHAN BIOSYNTHESIS
Ref.: BISUBSTRATE SPECIFICITY IN HISTIDINE/TRYPTOPHAN BIO ISOMERASE FROM MYCOBACTERIUM TUBERCULOSIS BY ACTIVE METAMORPHOSIS. PROC.NATL.ACAD.SCI.USA V. 108 3554 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2Y88 - 2ER C15 H25 N5 O15 P2 c1nc(c(n1[....
2 2Y85 - 137 C12 H18 N O9 P 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 1 families.
1 2Y88 - 2ER C15 H25 N5 O15 P2 c1nc(c(n1[....
2 2Y85 - 137 C12 H18 N O9 P c1ccc(c(c1....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2Y88 - 2ER C15 H25 N5 O15 P2 c1nc(c(n1[....
2 2Y85 - 137 C12 H18 N O9 P c1ccc(c(c1....
3 5AB3 - 2ER C15 H25 N5 O15 P2 c1nc(c(n1[....
4 5G4W - GUO C15 H25 N5 O15 P2 c1nc(c(n1[....
5 5A5W - GUO C15 H25 N5 O15 P2 c1nc(c(n1[....
6 5AHF - GUO C15 H25 N5 O15 P2 c1nc(c(n1[....
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 : 2Y88; Ligand: 2ER; 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: 2y88.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
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