› 2pmq

X-ray diffraction
1.72Å resolution

Crystal structure of a mandelate racemase/muconate lactonizing enzyme from Roseovarius sp. HTCC2601

Released:
DOI: 10.2210/pdb2pmq/pdb
PDB entry 2pmq coloured by chain, front view.
PDB entry 2pmq coloured by chain, side view.
PDB entry 2pmq coloured by chain, top view.
Source organism: Salipiger bermudensis HTCC2601
Primary publication:
Discovery of new enzymes and metabolic pathways by using structure and genome context.
Zhao S, Kumar R, Sakai A, Vetting MW, Wood BM, Brown S, Bonanno JB, Hillerich BS, Seidel RD, Babbitt PC, Almo SC, Sweedler JV, Gerlt JA, Cronan JE, Jacobson MP
Nature 502 698-702 (2013)
PMID: 24056934

Function and Biology Details

Reaction catalysed: 
L-proline betaine = D-proline betaine
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo octamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170924 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
4-hydroxyproline betaine 2-epimerase Chains: A, B
Molecule details ›
Chains: A, B
Length: 377 amino acids
Theoretical weight: 41.19 KDa
Source organism: Salipiger bermudensis HTCC2601
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q0FPQ4 (Residues: 2-367; Coverage: 100%)
Gene names: R2601_01638, hpbD
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand MG 5 x MG
1 modified residue:
Ligand MSE 16 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P4212
Unit cell:
a: 136.381Å b: 136.381Å c: 80.925Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.167 0.165 0.191
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

20 review citations

Enzyme Function Initiative-Enzyme Similarity Tool (EFI-EST): A web tool for generating protein sequence similarity networks.
Gerlt et al. (2015)
19 more

4 mentions without citation

Structure-based virtual screening for drug discovery: principles, applications and recent advances.
Lionta et al. (2014)
3 more