› 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 entry 4qd9 coloured by chain, front view.
PDB entry 4qd9 coloured by chain, side view.
PDB entry 4qd9 coloured by chain, top view.
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)
Assembly name:
PDBe Complex ID:
PDB-CPX-191324 (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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