› 4zrb

X-ray diffraction
2.2Å resolution

Crystal Structure of Hypothetical Thioesterase Protein SP_1851 with Coenzyme A from Streptococcus pneumoniae TIGR4

Released:
DOI: 10.2210/pdb4zrb/pdb
PDB entry 4zrb coloured by chain, front view.
PDB entry 4zrb coloured by chain, side view.
PDB entry 4zrb coloured by chain, top view.
Source organism: Streptococcus pneumoniae TIGR4
Primary publication:
Structural and Functional Characterization of the PaaI Thioesterase from Streptococcus pneumoniae Reveals a Dual Specificity for Phenylacetyl-CoA and Medium-chain Fatty Acyl-CoAs and a Novel CoA-induced Fit Mechanism.
Khandokar YB, Srivastava P, Sarker S, Swarbrick CMD, Aragao D, Cowieson N, Forwood JK
J Biol Chem 291 1866-1876 (2016)
PMID: 26538563

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-102473 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thioesterase domain-containing protein Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 137 amino acids
Theoretical weight: 15.24 KDa
Source organism: Streptococcus pneumoniae TIGR4
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A0M3KL39 (Residues: 4-137; Coverage: 98%)
Gene name: SP_1851
Sequence domains: Thioesterase superfamily
Structure domains: Hotdog Thioesterase

Ligands and Environments

1 bound ligand:
Ligand COA 4 x COA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P1
Unit cell:
a: 50.16Å b: 71.86Å c: 82.43Å
α: 82.65° β: 81.38° γ: 79.65°
R-values:
R R work R free
0.205 0.203 0.237
Expression system: Escherichia coli

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Citations

1 review citation

Progress in structural and functional study of the bacterial phenylacetic acid catabolic pathway, its role in pathogenicity and antibiotic resistance.
Jiao et al. (2022)
2 other articles

2 mentions without citation

Activin-A co-opts IRF4 and AhR signaling to induce human regulatory T cells that restrain asthmatic responses.
Tousa et al. (2017)
1 more