3SPS

Crystal Structure of Apo-Hexameric Acyl-CoA Thioesterase

PDB DOI: https://doi.org/10.2210/pdb3SPS/pdb

Classification: HYDROLASE
Organism(s): Halalkalibacterium halodurans C-125
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2011-07-03 Released: 2011-08-17
Deposition Author(s): Forwood, J.K., Marfori, M., Kobe, B.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.90 Å
R-Value Free: 0.287
R-Value Work: 0.231
R-Value Observed: 0.234

wwPDB Validation 3D Report Full Report

This is version 1.1 of the entry. See complete history.

Literature

Ligand-Induced Conformational Changes within a Hexameric Acyl-CoA Thioesterase

Forwood, J.K., Marfori, M., Kobe, B.

To be published.

Macromolecule Content

Total Structure Weight: 112.88 kDa
Atom Count: 7,221
Modelled Residue Count: 933
Deposited Residue Count: 1,014
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Acyl-CoA hydrolase	A, B, C, D, E A, B, C, D, E, F	169	Halalkalibacterium halodurans C-125	Mutation(s): 0 Gene Names: BH0798 EC: 3.1.2
UniProt
Find proteins for Q9KEQ1 (Halalkalibacterium halodurans (strain ATCC BAA-125 / DSM 18197 / FERM 7344 / JCM 9153 / C-125)) Explore Q9KEQ1 Go to UniProtKB: Q9KEQ1
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q9KEQ1
Sequence Annotations Expand
Reference Sequence

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.90 Å
R-Value Free: 0.287
R-Value Work: 0.231
R-Value Observed: 0.234
Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 71.179	α = 90
b = 78.544	β = 90
c = 187.378	γ = 90

Software Package:

Software Name	Purpose
CrystalClear	data collection
PHASES	phasing
REFMAC	refinement
d*TREK	data reduction
d*TREK	data scaling

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2011-08-17

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2011-08-17
Type: Initial release
Version 1.1: 2023-11-01
Changes: Data collection, Database references, Refinement description

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.