1X7V

Crystal structure of PA3566 from Pseudomonas aeruginosa

PDB DOI: https://doi.org/10.2210/pdb1X7V/pdb

Classification: STRUCTURAL GENOMICS, UNKNOWN FUNCTION
Organism(s): Pseudomonas aeruginosa
Expression System: Escherichia coli
Mutation(s): Yes

Deposited: 2004-08-16 Released: 2004-08-31
Deposition Author(s): Sanders, D.A., Walker, J.R., Skarina, T., Gorodichtchenskaia, E., Joachimiak, A., Edwards, A., Savchenko, A., Midwest Center for Structural Genomics (MCSG)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.78 Å
R-Value Free: 0.223
R-Value Work: 0.164
R-Value Observed: 0.167

wwPDB Validation 3D Report Full Report

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

Literature

The X-ray crystal structure of PA3566 from Pseudomonas aureginosa at 1.8 A resolution.

Sanders, D.A., Walker, J.R., Skarina, T., Savchenko, A.

(2005) Proteins 61: 209-212

PubMed: 16049913 Search on PubMed
DOI: https://doi.org/10.1002/prot.20503
Primary Citation of Related Structures:
1X7V

Organizational Affiliation

Department of Chemistry, University of Saskatchewan, Saskatoon, Canada. david.sanders@usask.ca

Macromolecule Content

Total Structure Weight: 34.51 kDa
Atom Count: 2,593
Modelled Residue Count: 295
Deposited Residue Count: 297
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
PA3566 protein	A, B, C	99	Pseudomonas aeruginosa	Mutation(s): 2
UniProt
Find proteins for Q9HY51 (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)) Explore Q9HY51 Go to UniProtKB: Q9HY51
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q9HY51
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain D [auth C] MOL2 format, chain D [auth C]	D [auth C]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain D [auth C] Interactions & Density Focus chain D [auth C]

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

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.78 Å
R-Value Free: 0.223
R-Value Work: 0.164
R-Value Observed: 0.167
Space Group: P 2₁ 2₁ 2

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 104.555	α = 90
b = 38.395	β = 90
c = 63.72	γ = 90

Software Package:

Software Name	Purpose
REFMAC	refinement
HKL-2000	data reduction
CCP4	data scaling
SHELXS	phasing

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2004-08-31

Deposition Author(s):

Gorodichtchenskaia, E.

Midwest Center for Structural Genomics (MCSG)

Revision History (Full details and data files)

Version 1.0: 2004-08-31
Type: Initial release
Version 1.1: 2008-04-30
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Version format compliance

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.