› 5bo2

X-ray diffraction
2Å resolution

Bianthranilate-like inhibitor with 4-atom "line" and phosphonate "hook" fishing for hydrogen bond donors in Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD)

Released:
DOI: 10.2210/pdb5bo2/pdb
PDB entry 5bo2 coloured by chain, front view.
PDB entry 5bo2 coloured by chain, side view.
PDB entry 5bo2 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Ra
Entry authors: Evans GL, Baker EN, Lott JS, TB Structural Genomics Consortium (TBSGC)

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-107739 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Anthranilate phosphoribosyltransferase Chains: A, B
Molecule details ›
Chains: A, B
Length: 379 amino acids
Theoretical weight: 38.95 KDa
Source organism: Mycobacterium tuberculosis H37Ra
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A5U4M0 (Residues: 2-370; Coverage: 100%)
Gene names: MRA_2208, trpD
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 7P1 2 x 7P1
Ligand IMD 5 x IMD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: C2
Unit cell:
a: 94.467Å b: 78.039Å c: 102.945Å
α: 90° β: 111° γ: 90°
R-values:
R R work R free
0.194 0.192 0.232
Expression system: Escherichia coli BL21(DE3)

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