› 7nlw

X-ray diffraction
2.32Å resolution

Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-(5-methoxy-1H-indol-3-yl)acetonitrile

Released:
DOI: 10.2210/pdb7nlw/pdb
PDB entry 7nlw coloured by chain, front view.
PDB entry 7nlw coloured by chain, side view.
PDB entry 7nlw coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Gupta P, Thomas SE, Zaidan SA, Pasillas MA, Cory-Wright J, Sebastian-Perez V, Burgess A, Cattermole E, Meghir C, Abell C, Coyne AG, Jacobs WR, Blundell TL, Tiwari S, Mendes V
Comput Struct Biotechnol J 19 3491-3506 (2021)

Function and Biology Details

Reaction catalysed: 
ATP + N-acetyl-L-glutamate = ADP + N-acetyl-L-glutamate 5-phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-162038 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acetylglutamate kinase Chain: A
Molecule details ›
Chain: A
Length: 297 amino acids
Theoretical weight: 31.21 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WQ01 (Residues: 2-294; Coverage: 100%)
Gene names: MTCY06H11.19, Rv1654, argB
Sequence domains: Amino acid kinase family

Ligands and Environments

2 bound ligands:
Ligand UOK 1 x UOK
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: R32
Unit cell:
a: 174.35Å b: 174.35Å c: 72.785Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.213 0.211 0.243
Expression system: Escherichia coli BL21(DE3)

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