› 1qz3

X-ray diffraction
2.3Å resolution

CRYSTAL STRUCTURE OF MUTANT M211S/R215L OF CARBOXYLESTERASE EST2 COMPLEXED WITH HEXADECANESULFONATE

Released:
DOI: 10.2210/pdb1qz3/pdb
PDB entry 1qz3 coloured by chain, front view.
PDB entry 1qz3 coloured by chain, side view.
PDB entry 1qz3 coloured by chain, top view.
Source organism: Alicyclobacillus acidocaldarius
Primary publication:
A substrate-induced switch in the reaction mechanism of a thermophilic esterase: kinetic evidences and structural basis.
De Simone G, Mandrich L, Menchise V, Giordano V, Febbraio F, Rossi M, Pedone C, Manco G
J Biol Chem 279 6815-23 (2004)
PMID: 14617621

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-181976 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Alpha/beta hydrolase fold-3 domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 310 amino acids
Theoretical weight: 34.25 KDa
Source organism: Alicyclobacillus acidocaldarius
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q7SIG1 (Residues: 1-310; Coverage: 100%)
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

1 bound ligand:
Ligand HDS 1 x HDS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X13
Spacegroup: P41212
Unit cell:
a: 85.193Å b: 85.193Å c: 103.585Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.174 0.216
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

28 citation in other articles

How the Same Core Catalytic Machinery Catalyzes 17 Different Reactions: the Serine-Histidine-Aspartate Catalytic Triad of α/β-Hydrolase Fold Enzymes.
Rauwerdink et al. (2015)
27 more

8 mentions without citation

Structural insights into the substrate specificity of two esterases from the thermophilic Rhizomucor miehei.
Yang et al. (2015)
7 more