› 6d0v

X-ray diffraction
1.64Å resolution

Tryptophan synthase Q114A mutant in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination site

Released:
DOI: 10.2210/pdb6d0v/pdb
PDB entry 6d0v coloured by chain, front view.
PDB entry 6d0v coloured by chain, side view.
PDB entry 6d0v coloured by chain, top view.
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Entry authors: Hilario E, Dunn MF, Mueller LJ, Fan L

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-524458 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Tryptophan synthase alpha chain Chain: A
Molecule details ›
Chain: A
Length: 268 amino acids
Theoretical weight: 28.7 KDa
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Expression system: Escherichia coli
UniProt:
  • Canonical: P00929 (Residues: 1-268; Coverage: 100%)
Gene names: STM1727, trpA
Sequence domains: Tryptophan synthase alpha chain
Structure domains: Aldolase class I
Tryptophan synthase beta chain Chain: B
Molecule details ›
Chain: B
Length: 395 amino acids
Theoretical weight: 42.69 KDa
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A2K1 (Residues: 1-394; Coverage: 99%)
Gene names: STM1726, trpB
Sequence domains: Pyridoxal-phosphate dependent enzyme
Structure domains: Rossmann fold

Ligands and Environments

8 bound ligands:
Ligand DMS 16 x DMS
Ligand CL 5 x CL
Ligand F9F 1 x F9F
Ligand EDO 8 x EDO
Ligand 0JO 1 x 0JO
Ligand CS 3 x CS
Ligand SER 1 x SER
Ligand PEG 2 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: C2
Unit cell:
a: 183.73Å b: 60.88Å c: 67.32Å
α: 90° β: 94.87° γ: 90°
R-values:
R R work R free
0.132 0.13 0.175
Expression system: Escherichia coli

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