› 7nor

X-ray diffraction
1.59Å resolution

Crystal structure of Mycobacterium tuberculosis ArgF in complex with 2-fluoro-4-hydroxybenzonitrile.

Released:
DOI: 10.2210/pdb7nor/pdb
PDB entry 7nor coloured by chain, front view.
PDB entry 7nor coloured by chain, side view.
PDB entry 7nor 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: 
Carbamoyl phosphate + L-ornithine = phosphate + L-citrulline
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161660 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ornithine carbamoyltransferase Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 309 amino acids
Theoretical weight: 33.21 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WIT9 (Residues: 2-307; Coverage: 100%)
Gene names: MTCY06H11.21, Rv1656, argF
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand PO4 10 x PO4
Ligand 8H8 4 x 8H8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P21
Unit cell:
a: 91.453Å b: 142.734Å c: 97.697Å
α: 90° β: 117.5° γ: 90°
R-values:
R R work R free
0.168 0.167 0.186
Expression system: Escherichia coli BL21(DE3)

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