4FJW

Crystal Structure of the apo form of the E131Q Mtb crotonase

PDB DOI: https://doi.org/10.2210/pdb4FJW/pdb

Classification: LYASE
Organism(s): Mycobacterium tuberculosis
Expression System: Escherichia coli
Mutation(s): Yes

Deposited: 2012-06-12 Released: 2013-05-22
Deposition Author(s): Bruning, J.B., Delgado, E., Ghosh, S., Sacchettini, J.C., TB Structural Genomics Consortium (TBSGC)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.20 Å
R-Value Free: 0.262
R-Value Work: 0.209
R-Value Observed: 0.212

wwPDB Validation 3D Report Full Report

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

Literature

Crystal Structure and Mechanism of the Prokaryotic Crotonase

Bruning, J.B., Delgado, E., Ghosh, S., Sacchettini, J.C.

To be published.

Macromolecule Content

Total Structure Weight: 81.9 kDa
Atom Count: 6,101
Modelled Residue Count: 764
Deposited Residue Count: 771
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Probable enoyl-CoA hydratase echA8	A [auth D], B [auth E], C [auth F]	257	Mycobacterium tuberculosis	Mutation(s): 1 Gene Names: echA8, MT1100, MTV017.23c, Rv1070c EC: 4.2.1.17
UniProt
Find proteins for P9WNN9 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore P9WNN9 Go to UniProtKB: P9WNN9
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P9WNN9
Sequence Annotations Expand
Reference Sequence

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.20 Å
R-Value Free: 0.262
R-Value Work: 0.209
R-Value Observed: 0.212
Space Group: C 2 2 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 134.701	α = 90
b = 134.044	β = 90
c = 101.544	γ = 90

Software Package:

Software Name	Purpose
d*TREK	data scaling
d*TREK	data reduction
PHASER	phasing
PHENIX	refinement
PDB_EXTRACT	data extraction
CrystalClear	data collection

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2013-05-22

Deposition Author(s):

Sacchettini, J.C.

TB Structural Genomics Consortium (TBSGC)

Revision History (Full details and data files)

Version 1.0: 2013-05-22
Type: Initial release
Version 1.1: 2023-09-13
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.