› 3mue

X-ray diffraction
2.7Å resolution

Crystal Structure of Pantoate-beta-Alanine Ligase from Salmonella typhimurium

Released:
DOI: 10.2210/pdb3mue/pdb
PDB entry 3mue coloured by chain, front view.
PDB entry 3mue coloured by chain, side view.
PDB entry 3mue coloured by chain, top view.
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Entry authors: Kim Y, Makowska-Grzyska M, 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-187391 (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: 32.17 KDa
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q8ZRR1 (Residues: 1-284; Coverage: 100%)
Gene names: STM0181, panC
Sequence domains: Pantoate-beta-alanine ligase
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand GOL 16 x GOL
Ligand EOH 5 x EOH
Ligand SO4 2 x SO4
Ligand ACY 1 x ACY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: C2
Unit cell:
a: 158.226Å b: 134.923Å c: 93.923Å
α: 90° β: 93.96° γ: 90°
R-values:
R R work R free
0.181 0.178 0.229
Expression system: Escherichia coli BL21

Quick links