› 4rnc

X-ray diffraction
1.95Å resolution

Crystal structure of an esterase RhEst1 from Rhodococcus sp. ECU1013

Released:
DOI: 10.2210/pdb4rnc/pdb
PDB entry 4rnc coloured by chain, front view.
PDB entry 4rnc coloured by chain, side view.
PDB entry 4rnc coloured by chain, top view.
Source organism: Rhodococcus sp. ECU1013
Primary publication:
Substrate channel evolution of an esterase for the synthesis of Cilastatin
Luan ZJ, L Li F, Dou S, Chen Q, Kong XD, Zhou J, Yu HL, Xu JH
Catal Sci Technol 5 2622-2629 (2015)

Function and Biology Details

Reaction catalysed: 
A carboxylic ester + H(2)O = an alcohol + a carboxylate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-100685 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
AB hydrolase-1 domain-containing protein Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 310 amino acids
Theoretical weight: 32.43 KDa
Source organism: Rhodococcus sp. ECU1013
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A088CB91 (Residues: 1-275; Coverage: 100%)
Gene name: EST1
Sequence domains: Alpha/beta hydrolase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

1 bound ligand:
Ligand PO4 3 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: C2
Unit cell:
a: 212.926Å b: 45.383Å c: 77.443Å
α: 90° β: 105.82° γ: 90°
R-values:
R R work R free
0.164 0.161 0.212
Expression system: Escherichia coli BL21(DE3)

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