3E8P

Crystal structure of the protein Q8E9M7 from Shewanella oneidensis related to thioesterase superfamily. Northeast Structural Genomics Consortium target SoR246.

PDB DOI: https://doi.org/10.2210/pdb3E8P/pdb

Classification: structural genomics, unknown function
Organism(s): Shewanella oneidensis
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2008-08-20 Released: 2008-09-02
Deposition Author(s): Kuzin, A.P., Abashidze, M., Seetharaman, J., Janjua, H., Ciccosanti, C., Foote, E.L., Wang, H., Xiao, R., Nair, R., Everett, J., Acton, T.B., Rost, B., Tong, S.N., Montelione, G.T., Hunt, J.F., Tong, L., Northeast Structural Genomics Consortium (NESG)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.30 Å
R-Value Free: 0.242
R-Value Work: 0.207
R-Value Observed: 0.207

wwPDB Validation 3D Report Full Report

This is version 1.2 of the entry. See complete history.

Literature

Crystal structure of the protein Q8E9M7 from Shewanella oneidensis related to thioesterase superfamily. Northeast Structural Genomics Consortium target SoR246.

Kuzin, A.P., Abashidze, M., Seetharaman, J., Janjua, H., Ciccosanti, C., Foote, E.L., Wang, H., Xiao, R., Nair, R., Everett, J., Acton, T.B., Rost, B., Tong, S.N., Montelione, G.T., Hunt, J.F., Tong, L.

To be published.

Macromolecule Content

Total Structure Weight: 73.8 kDa
Atom Count: 4,801
Modelled Residue Count: 612
Deposited Residue Count: 656
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
uncharacterized protein	A, B, C, D	164	Shewanella oneidensis	Mutation(s): 0 Gene Names: SO_4242
UniProt
Find proteins for Q8E9M7 (Shewanella oneidensis (strain MR-1)) Explore Q8E9M7 Go to UniProtKB: Q8E9M7
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q8E9M7
Sequence Annotations Expand
Reference Sequence

Small Molecules

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

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.30 Å
R-Value Free: 0.242
R-Value Work: 0.207
R-Value Observed: 0.207
Space Group: C 1 2 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 88.751	α = 90
b = 89.085	β = 105.1
c = 81.919	γ = 90

Software Package:

Software Name	Purpose
CNS	refinement
ADSC	data collection
HKL-2000	data reduction
SCALEPACK	data scaling
SnB	phasing

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2008-09-02

Deposition Author(s):

Seetharaman, J.

Montelione, G.T.

Northeast Structural Genomics Consortium (NESG)

Revision History (Full details and data files)

Version 1.0: 2008-09-02
Type: Initial release
Version 1.1: 2011-07-13
Changes: Version format compliance
Version 1.2: 2017-10-25
Changes: 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.