› 4qd9

X-ray diffraction
1.77Å resolution

Crystal structure of Thioesterase PA1618 from Pseudomonas aeruginosa in complex with benzoyl-dO-CoA

Released:
DOI: 10.2210/pdb4qd9/pdb
PDB 4qd9 coloured by chain and viewed from the front.
PDB 4qd9 coloured by chain and viewed from the side.
PDB 4qd9 coloured by chain and viewed from the top.
Source organism: Pseudomonas aeruginosa PAO1
Entry authors: Ji T, Allen KN, Dunaway-Mariano D

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
homo dimer
homo tetramer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Putative esterase PA1618 Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 152 amino acids
Theoretical weight: 16.63 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9I3A4 (Residues: 1-144; Coverage: 99%)
Gene name: PA1618
Sequence domains: Thioesterase superfamily
Structure domains: Hotdog Thioesterase

Ligands and Environments

1 bound ligand:
Ligand 31B 2 x 31B
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: C2221
Unit cell:
a: 103.026Å b: 201.49Å c: 91.744Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.186 0.224
Expression system: Escherichia coli

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