› 4mwa

X-ray diffraction
1.85Å resolution

1.85 Angstrom Crystal Structure of GCPE Protein from Bacillus anthracis

Released:
DOI: 10.2210/pdb4mwa/pdb
PDB entry 4mwa coloured by chain, front view.
PDB entry 4mwa coloured by chain, side view.
PDB entry 4mwa coloured by chain, top view.
Source organism: Bacillus anthracis str. Sterne
Entry authors: Minasov G, Wawrzak Z, Brunzelle JS, Xu X, Cui H, Maltseva N, Bishop B, Kwon K, Savchenko A, Joachimiak A, Anderson WF, Center for Structural Genomics of Infectious Diseases (CSGID)

Function and Biology Details

Reaction catalysed: 
(E)-4-hydroxy-3-methylbut-2-en-1-yl diphosphate + H(2)O + oxidized flavodoxin = 2-C-methyl-D-erythritol 2,4-cyclodiphosphate + reduced flavodoxin
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
hetero tetramer
hetero octamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-182571 (preferred)
Entry contents:
5 distinct polypeptide molecules
Macromolecules (5 distinct):
4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase (flavodoxin) Chains: A, G
Molecule details ›
Chains: A, G
Length: 276 amino acids
Theoretical weight: 30.03 KDa
Source organism: Bacillus anthracis str. Sterne
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q81LV7 (Residues: 1-270; Coverage: 74%)
Gene names: BAS4180, BA_4502, GBAA_4502, gcpE, ispG
Sequence domains: GcpE protein
Structure domains: Dihydropteroate synthase-like
4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase (flavodoxin) Chain: B
Molecule details ›
Chain: B
Length: 276 amino acids
Theoretical weight: 30.03 KDa
Source organism: Bacillus anthracis str. Sterne
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q81LV7 (Residues: 1-270; Coverage: 74%)
Gene names: BAS4180, BA_4502, GBAA_4502, gcpE, ispG
Sequence domains: GcpE protein
Structure domains: Dihydropteroate synthase-like
4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase (flavodoxin) Chain: C
Molecule details ›
Chain: C
Length: 276 amino acids
Theoretical weight: 30.08 KDa
Source organism: Bacillus anthracis str. Sterne
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q81LV7 (Residues: 1-270; Coverage: 74%)
Gene names: BAS4180, BA_4502, GBAA_4502, gcpE, ispG
Sequence domains: GcpE protein
Structure domains: Dihydropteroate synthase-like
4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase (flavodoxin) Chains: D, F, H
Molecule details ›
Chains: D, F, H
Length: 276 amino acids
Theoretical weight: 29.99 KDa
Source organism: Bacillus anthracis str. Sterne
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q81LV7 (Residues: 1-270; Coverage: 74%)
Gene names: BAS4180, BA_4502, GBAA_4502, gcpE, ispG
Sequence domains: GcpE protein
Structure domains: Dihydropteroate synthase-like
4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase (flavodoxin) Chain: E
Molecule details ›
Chain: E
Length: 276 amino acids
Theoretical weight: 30.08 KDa
Source organism: Bacillus anthracis str. Sterne
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q81LV7 (Residues: 1-270; Coverage: 74%)
Gene names: BAS4180, BA_4502, GBAA_4502, gcpE, ispG
Sequence domains: GcpE protein
Structure domains: Dihydropteroate synthase-like

Ligands and Environments

2 bound ligands:
Ligand SO4 13 x SO4
Ligand CL 8 x CL
2 modified residues:
Ligand MSE 40 x MSE
Ligand KCX 7 x KCX

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P3
Unit cell:
a: 162.676Å b: 162.676Å c: 76.484Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.127 0.125 0.169
Expression system: Escherichia coli BL21(DE3)

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