› 8qzi

X-ray diffraction
2.5Å resolution

Crystal structure of PptT-ACP from Mycobacterium tuberculosis

Released:
DOI: 10.2210/pdb8qzi/pdb
PDB entry 8qzi coloured by chain, front view.
PDB entry 8qzi coloured by chain, side view.
PDB entry 8qzi coloured by chain, top view.
Source organisms:
Primary publication:
Catalytic Cycle of Type II 4'-Phosphopantetheinyl Transferases
Gavalda S, Faille A, Fioccola S, Nguyen MC, Carivenc C, Rottier K, Rufin Y, Saitta S, Czaplicki G, Guilhot C, Chalut C, Brut M, Mourey L, Pedelacq JD
ACS Catalysis 14 8561-8575 (2024)

Function and Biology Details

Reactions catalysed: 
CoA-(4'-phosphopantetheine) + an apo-[acyl-carrier-protein] = adenosine 3',5'-bisphosphate + an [acyl-carrier-protein]
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:
Biological process:
Cellular component:

Structure analysis Details

Assemblies composition:
monomeric
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-271651 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
4'-phosphopantetheinyl transferase PptT Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 247 amino acids
Theoretical weight: 26.91 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O33336 (Residues: 1-227; Coverage: 100%)
Gene names: Rv2794c, pptT
Sequence domains:
Phenolphthiocerol/phthiocerol polyketide synthase subunit C Chains: E, F
Molecule details ›
Chains: E, F
Length: 172 amino acids
Theoretical weight: 18.57 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P96202 (Residues: 2042-2188; Coverage: 7%)
Gene names: Rv2933, ppsC
Sequence domains: Phosphopantetheine attachment site

Ligands and Environments

3 bound ligands:
Ligand COA 4 x COA
Ligand MN 8 x MN
Ligand IPA 2 x IPA
1 modified residue:
Ligand MSE 10 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 2
Spacegroup: P21
Unit cell:
a: 47.335Å b: 280.843Å c: 47.34Å
α: 90° β: 92.829° γ: 90°
R-values:
R R work R free
0.198 0.196 0.241
Expression system: Escherichia coli BL21(DE3)

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