4G12

Crystal structure of putative TetR family transcriptional regulator, Fad35R, from Mycobacterium tuberculosis

PDB DOI: https://doi.org/10.2210/pdb4G12/pdb

Classification: DNA BINDING PROTEIN
Organism(s): Mycobacterium tuberculosis
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2012-07-10 Released: 2013-07-10
Deposition Author(s): Singh, A.K., Manjasetty, B.A., Singh, V., Mittal, M., Kumaran, S.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 3.44 Å
R-Value Free: 0.256
R-Value Work: 0.208
R-Value Observed: 0.213

wwPDB Validation 3D Report Full Report

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

Literature

Crystal structure of putative TetR family transcriptional regulator, Fad35R, from Mycobacterium tuberculosis

Singh, A.K., Manjasetty, B.A., Singh, V., Mittal, M., Kumaran, S.

To be published.

Macromolecule Content

Total Structure Weight: 47.07 kDa
Atom Count: 2,863
Modelled Residue Count: 384
Deposited Residue Count: 430
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 transcriptional regulatory protein (Probably TETR-FAMILY)	A, B	215	Mycobacterium tuberculosis	Mutation(s): 0 Gene Names: Rv2506
UniProt
Find proteins for A5U5K3 (Mycobacterium tuberculosis (strain ATCC 25177 / H37Ra)) Explore A5U5K3 Go to UniProtKB: A5U5K3
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A5U5K3
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
GOL Query on GOL Download Ideal Coordinates CCD File SDF format, chain C [auth A] SDF format, chain D [auth B] MOL2 format, chain C [auth A] MOL2 format, chain D [auth B]	C [auth A], D [auth B]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain C [auth A] Focus chain D [auth B] Interactions & Density Focus chain C [auth A] Focus chain D [auth B]

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

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 3.44 Å
R-Value Free: 0.256
R-Value Work: 0.208
R-Value Observed: 0.213
Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 76.836	α = 90
b = 83.211	β = 90
c = 95.328	γ = 90

Software Package:

Software Name	Purpose
MxCuBE	data collection
SHELX	model building
REFMAC	refinement
HKL-2000	data reduction
HKL-2000	data scaling
SHELX	phasing

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2013-07-10

Deposition Author(s):

Manjasetty, B.A.

Revision History (Full details and data files)

Version 1.0: 2013-07-10
Type: Initial release
Version 1.1: 2014-10-15
Changes: Other

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.