2PRX

Crystal structure of Thioesterase superfamily protein (ZP_00837258.1) from Shewanella loihica PV-4 at 1.65 A resolution

PDB DOI: https://doi.org/10.2210/pdb2PRX/pdb

Classification: HYDROLASE
Organism(s): Shewanella loihica PV-4
Expression System: Escherichia coli
Mutation(s): Yes

Deposited: 2007-05-04 Released: 2007-05-29
Deposition Author(s): Joint Center for Structural Genomics (JCSG)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.50 Å
R-Value Free: 0.277
R-Value Work: 0.199
R-Value Observed: 0.199

wwPDB Validation 3D Report Full Report

This is version 1.5 of the entry. See complete history.

Literature

Crystal structure of Thioesterase superfamily protein (ZP_00837258.1) from Shewanella loihica PV-4 at 1.65 A resolution

Joint Center for Structural Genomics (JCSG)

To be published.

Macromolecule Content

Total Structure Weight: 34.91 kDa
Atom Count: 1,724
Modelled Residue Count: 228
Deposited Residue Count: 320
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Thioesterase superfamily protein	A, B	160	Shewanella loihica PV-4	Mutation(s): 6 Gene Names: ZP_00837258.1, Shew_3755
UniProt
Find proteins for A3QJH3 (Shewanella loihica (strain ATCC BAA-1088 / PV-4)) Explore A3QJH3 Go to UniProtKB: A3QJH3
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A3QJH3
Sequence Annotations Expand
Reference Sequence

Small Molecules

Modified Residues 1 Unique
ID	Chains	Type	Formula	2D Diagram	Parent
MSE Query on MSE	A, B	L-PEPTIDE LINKING	C₅ H₁₁ N O₂ Se		MET

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.50 Å
R-Value Free: 0.277
R-Value Work: 0.199
R-Value Observed: 0.199
Space Group: P 3₁
Diffraction Data: https://doi.org/10.18430/M32PRX

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 38.501	α = 90
b = 38.501	β = 90
c = 172.247	γ = 120

Software Package:

Software Name	Purpose
SHELX	refinement
MolProbity	model building
SOLVE	phasing
SCALA	data scaling
PDB_EXTRACT	data extraction
MAR345	data collection
MOSFLM	data reduction
SHELXL-97	refinement

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2007-05-29

Deposition Author(s):

Joint Center for Structural Genomics (JCSG)

Revision History (Full details and data files)

Version 1.0: 2007-05-29
Type: Initial release
Version 1.1: 2008-05-01
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Source and taxonomy, Version format compliance
Version 1.3: 2017-10-18
Changes: Refinement description
Version 1.4: 2017-10-25
Changes: Author supporting evidence
Version 1.5: 2023-01-25
Changes: Database references, Derived calculations

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.