6C7C

Crystal structure of Enoyl-CoA hydratase, EchA3, from Mycobacterium ulcerans Agy99

PDB DOI: https://doi.org/10.2210/pdb6C7C/pdb

Classification: LYASE
Organism(s): Mycobacterium ulcerans Agy99
Expression System: Escherichia coli 'BL21-Gold(DE3)pLysS AG
Mutation(s): No

Deposited: 2018-01-22 Released: 2018-02-07
Deposition Author(s): Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.10 Å
R-Value Free: 0.224
R-Value Work: 0.174
R-Value Observed: 0.177

wwPDB Validation 3D Report Full Report

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

Literature

Crystal structure of Enoyl-CoA hydratase, EchA3, from Mycobacterium ulcerans Agy99

Abendroth, J., Mayclin, S.J., Sankaran, B., Lorimer, D.D., Edwards, T.E.

To be published.

Macromolecule Content

Total Structure Weight: 74.29 kDa
Atom Count: 5,621
Modelled Residue Count: 689
Deposited Residue Count: 705
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Enoyl-CoA hydratase, EchA3	A, B, C	235	Mycobacterium ulcerans Agy99	Mutation(s): 0 Gene Names: echA3, MUL_0713
UniProt
Find proteins for A0PLZ7 (Mycobacterium ulcerans (strain Agy99)) Explore A0PLZ7 Go to UniProtKB: A0PLZ7
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A0PLZ7
Sequence Annotations Expand
Reference Sequence

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.10 Å
R-Value Free: 0.224
R-Value Work: 0.174
R-Value Observed: 0.177
Space Group: C 1 2 1
Diffraction Data: https://doi.org/10.18430/M36C7C

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 130.65	α = 90
b = 75.52	β = 115.43
c = 82.7	γ = 90

Software Package:

Software Name	Purpose
XDS	data reduction
XSCALE	data scaling
PHENIX	refinement
PDB_EXTRACT	data extraction
MoRDa	phasing
PHASER	phasing
Coot	model building

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2018-02-07

Deposition Author(s):

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Revision History (Full details and data files)

Version 1.0: 2018-02-07
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.