5U2A

Crystal structure of Brucella canis Acyl-CoA Synthetase

PDB DOI: https://doi.org/10.2210/pdb5U2A/pdb

Classification: LIGASE
Organism(s): Brucella canis ATCC 23365
Expression System: Escherichia coli BL21(DE3)
Mutation(s): No

Deposited: 2016-11-30 Released: 2016-12-21
Deposition Author(s): Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D., Abendroth, J.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.50 Å
R-Value Free: 0.228
R-Value Work: 0.191
R-Value Observed: 0.193

wwPDB Validation 3D Report Full Report

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

Literature

Crystal structure of Brucella canis Acyl-CoA Synthetase

Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D., Abendroth, J.

To be published.

Macromolecule Content

Total Structure Weight: 60.7 kDa
Atom Count: 4,031
Modelled Residue Count: 542
Deposited Residue Count: 564
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
AMP-dependent synthetase and ligase	A	564	Brucella canis ATCC 23365	Mutation(s): 0 Gene Names: BCAN_B0452
UniProt
Find proteins for A9MB96 (Brucella canis (strain ATCC 23365 / NCTC 10854)) Explore A9MB96 Go to UniProtKB: A9MB96
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A9MB96
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
CL Query on CL Download Ideal Coordinates CCD File SDF format, chain B [auth A] MOL2 format, chain B [auth A]	B [auth A]	CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M		Interactions Focus chain B [auth A] Interactions & Density Focus chain B [auth A]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.50 Å
R-Value Free: 0.228
R-Value Work: 0.191
R-Value Observed: 0.193
Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 61.6	α = 90
b = 92.2	β = 90
c = 141.19	γ = 90

Software Package:

Software Name	Purpose
XDS	data reduction
XSCALE	data scaling
PHENIX	refinement

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2016-12-21

Deposition Author(s):

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Revision History (Full details and data files)

Version 1.0: 2016-12-21
Type: Initial release
Version 1.1: 2023-10-04
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.