› 6dwe

X-ray diffraction
2.69Å resolution

Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and BRD0059-bound form

Released:
DOI: 10.2210/pdb6dwe/pdb
PDB entry 6dwe coloured by chain, front view.
PDB entry 6dwe coloured by chain, side view.
PDB entry 6dwe coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Entry authors: Chang C, Michalska K, Maltseva NI, Jedrzejczak R, McCarren P, Nag PP, Joachimiak A, Satchell K, Center for Structural Genomics of Infectious Diseases (CSGID)

Function and Biology Details

Reaction catalysed: 
(1a) 1-C-(indol-3-yl)glycerol 3-phosphate = indole + D-glyceraldehyde 3-phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161442 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Tryptophan synthase alpha chain Chains: A, C, E, G
Molecule details ›
Chains: A, C, E, G
Length: 276 amino acids
Theoretical weight: 28.58 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WFY1 (Residues: 1-270; Coverage: 100%)
Gene names: MTCY01B2.05, Rv1613, trpA
Sequence domains: Tryptophan synthase alpha chain
Structure domains: Aldolase class I
Tryptophan synthase beta chain Chains: B, D, F, H
Molecule details ›
Chains: B, D, F, H
Length: 410 amino acids
Theoretical weight: 43.33 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WFX9 (Residues: 12-421; Coverage: 97%)
Gene names: MTCY01B2.04, Rv1612, trpB
Sequence domains: Pyridoxal-phosphate dependent enzyme
Structure domains: Rossmann fold

Ligands and Environments

9 bound ligands:
Ligand MLI 4 x MLI
Ligand FMT 33 x FMT
Ligand P1T 4 x P1T
Ligand CS 9 x CS
Ligand HDJ 4 x HDJ
Ligand ACT 3 x ACT
Ligand MLA 2 x MLA
Ligand EDO 1 x EDO
Ligand PGE 1 x PGE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P212121
Unit cell:
a: 135.093Å b: 159.396Å c: 165.226Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.156 0.156 0.202
Expression system: Escherichia coli BL21(DE3)

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