› 3q12

X-ray diffraction
1.58Å resolution

Pantoate-beta-alanine ligase from Yersinia pestis in complex with pantoate.

Released:
DOI: 10.2210/pdb3q12/pdb
PDB entry 3q12 coloured by chain, front view.
PDB entry 3q12 coloured by chain, side view.
PDB entry 3q12 coloured by chain, top view.
Source organism: Yersinia pestis
Entry authors: Osipiuk J, Maltseva N, Kwon K, Anderson WF, Joachimiak A, Center for Structural Genomics of Infectious Diseases (CSGID)

Function and Biology Details

Reaction catalysed: 
ATP + (R)-pantoate + beta-alanine = AMP + diphosphate + (R)-pantothenate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187188 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pantothenate synthetase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 287 amino acids
Theoretical weight: 32.08 KDa
Source organism: Yersinia pestis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8ZBK7 (Residues: 1-284; Coverage: 100%)
Gene names: YPO3402, YP_0283, panC, y0785
Sequence domains: Pantoate-beta-alanine ligase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand PAF 4 x PAF
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P1
Unit cell:
a: 44.73Å b: 77.054Å c: 98.757Å
α: 100.67° β: 95.33° γ: 94.43°
R-values:
R R work R free
0.152 0.15 0.195
Expression system: Escherichia coli BL21(DE3)

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