› 4ij1

X-ray diffraction
1.79Å resolution

Bianthranilate-like analogue bound to anthranilate phosphoribosyltransferase (AnPRT; trpD) in absence of substrates.

Released:
DOI: 10.2210/pdb4ij1/pdb
PDB entry 4ij1 coloured by chain, front view.
PDB entry 4ij1 coloured by chain, side view.
PDB entry 4ij1 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Repurposing the chemical scaffold of the anti-arthritic drug Lobenzarit to target tryptophan biosynthesis in Mycobacterium tuberculosis.
Evans GL, Gamage SA, Bulloch EM, Baker EN, Denny WA, Lott JS
Chembiochem 15 852-64 (2014)
PMID: 24623674

Function and Biology Details

Reaction catalysed: 
N-(5-phospho-D-ribosyl)-anthranilate + diphosphate = anthranilate + 5-phospho-alpha-D-ribose 1-diphosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161439 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Anthranilate phosphoribosyltransferase Chains: A, B
Molecule details ›
Chains: A, B
Length: 380 amino acids
Theoretical weight: 39.09 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WFX5 (Residues: 2-370; Coverage: 100%)
Gene names: MTCY190.03c, Rv2192c, trpD
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand 17C 2 x 17C
Ligand GOL 4 x GOL
Ligand IMD 2 x IMD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: C2
Unit cell:
a: 94.799Å b: 78.05Å c: 101.973Å
α: 90° β: 111° γ: 90°
R-values:
R R work R free
0.203 0.201 0.244
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

A Three-Ring Circus: Metabolism of the Three Proteogenic Aromatic Amino Acids and Their Role in the Health of Plants and Animals.
Parthasarathy et al. (2018)
2 more

2 mentions without citation

The tryptophan biosynthetic pathway is essential for Mycobacterium tuberculosis to cause disease.
Lott JS. (2020)
1 more