› 3h02

X-ray diffraction
2.15Å resolution

2.15 Angstrom Resolution Crystal Structure of Naphthoate Synthase from Salmonella typhimurium.

Released:
DOI: 10.2210/pdb3h02/pdb
PDB entry 3h02 coloured by chain, front view.
PDB entry 3h02 coloured by chain, side view.
PDB entry 3h02 coloured by chain, top view.
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium
Entry authors: Minasov G, Wawrzak Z, Skarina T, Onopriyenko O, Peterson SN, Savchenko A, Anderson WF, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Genomics of Infectious Diseases (CSGID)

Function and Biology Details

Reaction catalysed: 
4-(2-carboxyphenyl)-4-oxobutanoyl-CoA = 1,4-dihydroxy-2-naphthoyl-CoA + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
homo hexamer
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-181410 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
1,4-dihydroxy-2-naphthoyl-CoA synthase Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 288 amino acids
Theoretical weight: 32.56 KDa
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium
Expression system: Escherichia coli
UniProt:
  • Canonical: Q7CQ56 (Residues: 1-285; Coverage: 100%)
Gene names: STM2307, menB
Sequence domains: Enoyl-CoA hydratase/isomerase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand SO4 2 x SO4
Ligand BCT 7 x BCT
1 modified residue:
Ligand MSE 72 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P212121
Unit cell:
a: 75.897Å b: 132.819Å c: 151.791Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.169 0.215
Expression system: Escherichia coli

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