2O0X

Mycobacterium tuberculosis epsp synthase in complex with intermediate

PDB DOI: https://doi.org/10.2210/pdb2O0X/pdb

Classification: TRANSFERASE
Organism(s): Mycobacterium tuberculosis
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2006-11-28 Released: 2008-04-08
Deposition Author(s): Kachalova, G.S., Bartunik, H.D., Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.96 Å
R-Value Work: 0.119

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.3 of the entry. See complete history.

Literature

Complexes of 3-PHOSPHOSHIKIMATE 1-CARBOXYVINYLTRANSFERASE

Kachalova, G.S., Burenkov, G.P., Strizhov, N.I., Brunning, M.G., Bartunik, H.D.

To be published.

Macromolecule Content

Total Structure Weight: 47.09 kDa
Atom Count: 4,000
Modelled Residue Count: 424
Deposited Residue Count: 450
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
3-phosphoshikimate 1-carboxyvinyltransferase	A	450	Mycobacterium tuberculosis	Mutation(s): 0 Gene Names: aroA EC: 2.5.1.19
UniProt
Find proteins for P9WPY5 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore P9WPY5 Go to UniProtKB: P9WPY5
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P9WPY5
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
SKP Query on SKP Download Ideal Coordinates CCD File SDF format, chain D [auth A] MOL2 format, chain D [auth A] mmCIF format, chain D [auth A]	D [auth A]	5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX-1-ENECARBOXYLIC ACID C₁₀ H₁₆ O₁₄ P₂ QUQKBSPZUVNKIF-JQCUSGDOSA-N		Interactions Focus chain D [auth A] Interactions & Density Focus chain D [auth A]
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain B [auth A] SDF format, chain C [auth A] MOL2 format, chain B [auth A] MOL2 format, chain C [auth A] mmCIF format, chain B [auth A] mmCIF format, chain C [auth A]	B [auth A], C [auth A]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain B [auth A] Focus chain C [auth A] Interactions & Density Focus chain B [auth A] Focus chain C [auth A]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.96 Å
R-Value Work: 0.119
Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 40.729	α = 90
b = 73.104	β = 90
c = 128.579	γ = 90

Software Package:

Software Name	Purpose
SHELX	model building
SHELXL-97	refinement
MAR345	data collection
DENZO	data reduction
SCALEPACK	data scaling
SHELX	phasing

Structure Validation

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Ligand Structure Quality Assessment

Entry History

Deposition Data

Released Date: 2008-04-08

Deposition Author(s):

Kachalova, G.S.

Bartunik, H.D.

Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)

Revision History (Full details and data files)

Version 1.0: 2008-04-08
Type: Initial release
Version 1.1: 2011-07-13
Changes: Version format compliance
Version 1.2: 2017-10-18
Changes: Advisory, Refinement description
Version 1.3: 2023-08-30
Changes: Advisory, Data collection, Database references, Derived calculations, Refinement description

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Help and Resources

2O0X

Mycobacterium tuberculosis epsp synthase in complex with intermediate

Complexes of 3-PHOSPHOSHIKIMATE 1-CARBOXYVINYLTRANSFERASE

Entity ID: 1

UniProt

Entity Groups

Sequence Annotations

Expand

Experimental Data

Structure Validation

Ligand Structure Quality Assessment

Deposition Data

Revision History (Full details and data files)