› 4qji

X-ray diffraction
2.65Å resolution

Crystal Structure of the C-terminal CTP-binding domain of a Phosphopantothenoylcysteine decarboxylase/phosphopantothenate-cysteine ligase with bound CTP from Mycobacterium smegmatis

Released:
DOI: 10.2210/pdb4qji/pdb
PDB entry 4qji coloured by chain, front view.
PDB entry 4qji coloured by chain, side view.
PDB entry 4qji coloured by chain, top view.
Source organism: Mycolicibacterium smegmatis MC2 155
Entry author: Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Function and Biology Details

Reactions catalysed: 
N-((R)-4'-phosphopantothenoyl)-L-cysteine = pantotheine 4'-phosphate + CO(2)
CTP + (R)-4'-phosphopantothenate + L-cysteine = CMP + diphosphate + N-((R)-4'-phosphopantothenoyl)-L-cysteine
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-106354 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Coenzyme A biosynthesis bifunctional protein CoaBC Chains: A, B
Molecule details ›
Chains: A, B
Length: 237 amino acids
Theoretical weight: 24.77 KDa
Source organism: Mycolicibacterium smegmatis MC2 155
Expression system: Escherichia coli
UniProt:
  • Canonical: A0QWT2 (Residues: 186-414; Coverage: 55%)
Gene names: MSMEG_3054, MSMEI_2978, coaBC
Sequence domains: DNA / pantothenate metabolism flavoprotein
Structure domains: CoaB-like

Ligands and Environments

2 bound ligands:
Ligand CTP 2 x CTP
Ligand MG 2 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P65
Unit cell:
a: 90.58Å b: 90.58Å c: 109.57Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.195 0.192 0.248
Expression system: Escherichia coli

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