5nji

X-ray diffraction
1.6Å resolution

Structure of the dehydratase domain of PpsC from Mycobacterium tuberculosis in complex with C12:1-CoA

Released:

Function and Biology Details

Reaction catalysed:
3 malonyl-CoA + 2 (S)-methylmalonyl-CoA + 17-(4-hydroxyphenyl)heptadecanoyl-[(phenol)carboxyphthiodiolenone synthase] + 5 NADPH = C(35)-(phenol)carboxyphthiodiolenone-[(phenol)carboxyphthiodiolenone synthase] + 5 CoA + 5 NADP(+) + 5 CO(2) + 2 H(2)O
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phenolphthiocerol/phthiocerol polyketide synthase subunit C Chain: A
Molecule details ›
Chain: A
Length: 322 amino acids
Theoretical weight: 34.31 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P96202 (Residues: 921-1217; Coverage: 14%)
Gene names: Rv2933, ppsC
Structure domains: Polyketide synthase dehydratase

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALBA BEAMLINE XALOC
Spacegroup: C2
Unit cell:
a: 117.377Å b: 70.81Å c: 42.571Å
α: 90° β: 104.87° γ: 90°
R-values:
R R work R free
0.171 0.17 0.192
Expression system: Escherichia coli BL21(DE3)