› 3day

X-ray diffraction
1.95Å resolution

Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in complex with AMP-CPP

Released:
DOI: 10.2210/pdb3day/pdb
PDB entry 3day coloured by chain, front view.
PDB entry 3day coloured by chain, side view.
PDB entry 3day coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A.
Kochan G, Pilka ES, von Delft F, Oppermann U, Yue WW
J Mol Biol 388 997-1008 (2009)
PMID: 19345228

Function and Biology Details

Reactions catalysed: 
ATP + a medium-chain fatty acid + CoA = AMP + diphosphate + a medium-chain acyl-CoA
ATP + benzoate + CoA = AMP + diphosphate + benzoyl-CoA
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170720 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acyl-coenzyme A synthetase ACSM2A, mitochondrial Chain: A
Molecule details ›
Chain: A
Length: 570 amino acids
Theoretical weight: 63.33 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: Q08AH3 (Residues: 32-577; Coverage: 95%)
Gene names: ACSM2, ACSM2A, MACS2
Sequence domains:
Structure domains:

Ligands and Environments

6 bound ligands:
Ligand MG 2 x MG
Ligand CL 3 x CL
Ligand APC 1 x APC
Ligand TRS 1 x TRS
Ligand UNX 11 x UNX
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: P212121
Unit cell:
a: 56.508Å b: 97.835Å c: 120.415Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.164 0.161 0.22
Expression system: Trichoplusia ni

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Citations

7 review citations

Conformational dynamics in the Acyl-CoA synthetases, adenylation domains of non-ribosomal peptide synthetases, and firefly luciferase.
Gulick AM. (2009)
6 more

4 mentions without citation

Predicting new indications for approved drugs using a proteochemometric method.
Dakshanamurthy et al. (2012)
3 more