› 3pr2

X-ray diffraction
1.85Å resolution

Tryptophan synthase indoline quinonoid structure with F9 inhibitor in alpha site

Released:
DOI: 10.2210/pdb3pr2/pdb
PDB entry 3pr2 coloured by chain, front view.
PDB entry 3pr2 coloured by chain, side view.
PDB entry 3pr2 coloured by chain, top view.
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium
Primary publication:
X-ray and NMR crystallography in an enzyme active site: the indoline quinonoid intermediate in tryptophan synthase.
Lai J, Niks D, Wang Y, Domratcheva T, Barends TR, Schwarz F, Olsen RA, Elliott DW, Fatmi MQ, Chang CE, Schlichting I, Dunn MF, Mueller LJ
J Am Chem Soc 133 4-7 (2011)
PMID: 21142052

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-133696 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Tryptophan synthase alpha chain Chain: A
Molecule details ›
Chain: A
Length: 266 amino acids
Theoretical weight: 28.5 KDa
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium
Expression system: Escherichia coli
UniProt:
  • Canonical: P00929 (Residues: 2-267; Coverage: 99%)
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: 391 amino acids
Theoretical weight: 42.23 KDa
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A2K1 (Residues: 3-393; Coverage: 99%)
Gene names: STM1726, trpB
Sequence domains: Pyridoxal-phosphate dependent enzyme
Structure domains: Rossmann fold

Ligands and Environments

3 bound ligands:
Ligand F9F 1 x F9F
Ligand 7MN 1 x 7MN
Ligand CS 3 x CS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: C2
Unit cell:
a: 184.17Å b: 60.62Å c: 67.38Å
α: 90° β: 94.62° γ: 90°
R-values:
R R work R free
0.2 0.198 0.227
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Controlling reaction specificity in pyridoxal phosphate enzymes.
Toney MD. (2011)
1 more

8 mentions without citation

Allosteric regulation of substrate channeling and catalysis in the tryptophan synthase bienzyme complex.
Dunn MF. (2012)
7 more