› 2wl4

X-ray diffraction
1.8Å resolution

BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. COMPLEX OF THE H348A MUTANT WITH COENZYME A.

Released:
DOI: 10.2210/pdb2wl4/pdb
PDB entry 2wl4 coloured by chain, front view.
PDB entry 2wl4 coloured by chain, side view.
PDB entry 2wl4 coloured by chain, top view.
Source organism: Zoogloea ramigera
Primary publication:
The thiolase reaction mechanism: the importance of Asn316 and His348 for stabilizing the enolate intermediate of the Claisen condensation.
Meriläinen G, Poikela V, Kursula P, Wierenga RK
Biochemistry 48 11011-25 (2009)
PMID: 19842716

Function and Biology Details

Reaction catalysed: 
(1a) acetyl-CoA + [acetyl-CoA C-acetyltransferase]-L-cysteine = [acetyl-CoA C-acetyltransferase]-S-acetyl-L-cysteine + CoA
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139366 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
Acetyl-CoA acetyltransferase Chain: A
Molecule details ›
Chain: A
Length: 392 amino acids
Theoretical weight: 40.51 KDa
Source organism: Zoogloea ramigera
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P07097 (Residues: 2-11, 12-392; Coverage: 100%)
Gene names: phaA, phbA
Sequence domains:
Structure domains: Peroxisomal Thiolase; Chain A, domain 1
Acetyl-CoA acetyltransferase Chain: B
Molecule details ›
Chain: B
Length: 392 amino acids
Theoretical weight: 40.52 KDa
Source organism: Zoogloea ramigera
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P07097 (Residues: 2-11, 12-392; Coverage: 100%)
Gene names: phaA, phbA
Sequence domains:
Structure domains: Peroxisomal Thiolase; Chain A, domain 1
Acetyl-CoA acetyltransferase Chain: C
Molecule details ›
Chain: C
Length: 392 amino acids
Theoretical weight: 40.47 KDa
Source organism: Zoogloea ramigera
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P07097 (Residues: 2-11, 12-392; Coverage: 100%)
Gene names: phaA, phbA
Sequence domains:
Structure domains: Peroxisomal Thiolase; Chain A, domain 1
Acetyl-CoA acetyltransferase Chain: D
Molecule details ›
Chain: D
Length: 392 amino acids
Theoretical weight: 40.49 KDa
Source organism: Zoogloea ramigera
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P07097 (Residues: 2-11, 12-392; Coverage: 100%)
Gene names: phaA, phbA
Sequence domains:
Structure domains: Peroxisomal Thiolase; Chain A, domain 1

Ligands and Environments


Cofactor: Ligand COA 2 x COA
3 bound ligands:
Ligand SO4 25 x SO4
Ligand CL 3 x CL
Ligand NA 3 x NA
2 modified residues:
Ligand CSD 2 x CSD
Ligand CSO 2 x CSO

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P21
Unit cell:
a: 84.31Å b: 79.14Å c: 149.41Å
α: 90° β: 92.68° γ: 90°
R-values:
R R work R free
0.233 0.231 0.27
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Specificity in transition state binding: the Pauling model revisited.
Amyes et al. (2013)
1 more

2 mentions without citation

Forcefield_PTM: Ab Initio Charge and AMBER Forcefield Parameters for Frequently Occurring Post-Translational Modifications.
Khoury et al. (2013)
1 more