› 3inn

X-ray diffraction
2.1Å resolution

Crystal structure of pantoate-beta-alanine-ligase in complex with ATP at low occupancy at 2.1 A resolution

Released:
DOI: 10.2210/pdb3inn/pdb
PDB entry 3inn coloured by chain, front view.
PDB entry 3inn coloured by chain, side view.
PDB entry 3inn coloured by chain, top view.
Source organism: Brucella melitensis
Entry author: Seattle Structural Genomics Center for Infectious Disease (SSGCID)

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 tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187047 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pantothenate synthetase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 314 amino acids
Theoretical weight: 34.83 KDa
Source organism: Brucella melitensis
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8YFC9 (Residues: 1-293; Coverage: 100%)
Gene names: BMEI1593, panC
Sequence domains: Pantoate-beta-alanine ligase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand ATP 3 x ATP
Ligand UNX 6 x UNX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: P3121
Unit cell:
a: 94.32Å b: 94.32Å c: 236.93Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.196 0.194 0.245
Expression system: Escherichia coli

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