› 7mt6

X-ray diffraction
1.7Å resolution

Crystal structure of tryptophan synthase in complex with F9, Cs+, benzimidazole, pH7.8 - alpha aminoacrylate form - E(A-A)(BZI)

Released:
DOI: 10.2210/pdb7mt6/pdb
PDB entry 7mt6 coloured by chain, front view.
PDB entry 7mt6 coloured by chain, side view.
PDB entry 7mt6 coloured by chain, top view.
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium
Primary publication:
Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase α-aminoacrylate intermediate.
Holmes JB, Liu V, Caulkins BG, Hilario E, Ghosh RK, Drago VN, Young RP, Romero JA, Gill AD, Bogie PM, Paulino J, Wang X, Riviere G, Bosken YK, Struppe J, Hassan A, Guidoulianov J, Perrone B, Mentink-Vigier F, Chang CA, Long JR, Hooley RJ, Mueser TC, Dunn MF, Mueller LJ
OpenAccess logo Proc Natl Acad Sci U S A 119 (2022)
PMID: 34996869

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
Expression system: Escherichia coli
UniProt:
  • Canonical: P00929 (Residues: 1-268; Coverage: 100%)
Gene names: STM1727, trpA
Sequence domains: Tryptophan synthase alpha chain
Tryptophan synthase beta chain Chain: B
Molecule details ›
Chain: B
Length: 397 amino acids
Theoretical weight: 42.92 KDa
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A2K1 (Residues: 1-397; Coverage: 100%)
Gene names: STM1726, trpB
Sequence domains: Pyridoxal-phosphate dependent enzyme

Ligands and Environments

4 bound ligands:
Ligand F9F 1 x F9F
Ligand 0JO 1 x 0JO
Ligand CS 2 x CS
Ligand BZI 2 x BZI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: C2
Unit cell:
a: 183.96Å b: 60.96Å c: 67.41Å
α: 90° β: 94.58° γ: 90°
R-values:
R R work R free
0.16 0.16 0.193
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Allosteric regulation of substrate channeling: Salmonella typhimurium tryptophan synthase.
Ghosh et al. (2022)
4 other articles