› 8vlq

X-ray diffraction
2.07Å resolution

Structure of PmHMGR bound to mevalonate, CoA and NAD 5 minutes after reaction initiation at pH 9

Released:
DOI: 10.2210/pdb8vlq/pdb
PDB entry 8vlq coloured by chain, front view.
PDB entry 8vlq coloured by chain, side view.
PDB entry 8vlq coloured by chain, top view.
Source organism: Pseudomonas mevalonii
Primary publication:
pH-dependent reaction triggering in PmHMGR crystals for time-resolved crystallography.
Purohit V, Steussy CN, Rosales AR, Critchelow CJ, Schmidt T, Helquist P, Wiest O, Mesecar A, Cohen AE, Stauffacher CV
Biophys J 123 622-637 (2024)
PMID: 38327055

Function and Biology Details

Reaction catalysed: 
(R)-mevalonate + CoA + 2 NAD(+) = 3-hydroxy-3-methylglutaryl-CoA + 2 NADH
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-146717 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-hydroxy-3-methylglutaryl-coenzyme A reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 428 amino acids
Theoretical weight: 45.64 KDa
Source organism: Pseudomonas mevalonii
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P13702 (Residues: 1-428; Coverage: 100%)
Gene name: mvaA
Sequence domains: Hydroxymethylglutaryl-coenzyme A reductase

Ligands and Environments


Cofactor: Ligand NAD 1 x NAD

Cofactor: Ligand COA 1 x COA

Cofactor: Ligand NAI 1 x NAI
4 bound ligands:
Ligand ZKE 1 x ZKE
Ligand A1AFY 1 x A1AFY
Ligand SO4 1 x SO4
Ligand MEV 1 x MEV
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: I4132
Unit cell:
a: 225.988Å b: 225.988Å c: 225.988Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.217 0.215 0.248
Expression system: Escherichia coli BL21(DE3)

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