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- PDB-1wa8: Solution Structure of the CFP-10.ESAT-6 Complex. Major Virulence ... -

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Basic information

Entry
Database: PDB / ID: 1wa8
TitleSolution Structure of the CFP-10.ESAT-6 Complex. Major Virulence Determinants of Pathogenic Mycobacteria
Components
  • 6 KDA EARLY SECRETORY ANTIGENIC TARGET (ESAT-6)
  • ESAT-6 LIKE PROTEIN ESXB
KeywordsTUBERCULOSIS / CFP-10 / ESAT-6 / HELIX-TURN-HELIX / FOUR HELIX BUNDLE / MYCOBACTERIA / PATHOGENESIS / SOLUTION STRUCTURE / PSI / PROTEIN STRUCTURE INITIATIVE / TB STRUCTURAL GENOMICS CONSORTIUM / TBSGC
Function / homology
Function and homology information


: / symbiont-mediated perturbation of host signal transduction pathway / protein secretion by the type VII secretion system / Manipulation of host energy metabolism / symbiont-mediated suppression of host T-cell mediated immune response / host cell surface binding / host cell endoplasmic reticulum / : / host cell membrane / peptidoglycan-based cell wall ...: / symbiont-mediated perturbation of host signal transduction pathway / protein secretion by the type VII secretion system / Manipulation of host energy metabolism / symbiont-mediated suppression of host T-cell mediated immune response / host cell surface binding / host cell endoplasmic reticulum / : / host cell membrane / peptidoglycan-based cell wall / Modulation by Mtb of host immune system / host cell surface / membrane => GO:0016020 / host cell plasma membrane / protein homodimerization activity / extracellular region / plasma membrane / cytosol / cytoplasm
Similarity search - Function
ESAT-6-like superfamily / Type VII secretion system ESAT-6-like / Proteins of 100 residues with WXG / ESAT-6-like / Helix Hairpins / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
ESAT-6-like protein EsxB / ESAT-6-like protein EsxB / 6 kDa early secretory antigenic target / 6 kDa early secretory antigenic target
Similarity search - Component
Biological speciesMYCOBACTERIUM BOVIS (bacteria)
MYCOBACTERIUM TUBERCULOSIS (bacteria)
MethodSOLUTION NMR / CANDID
AuthorsRenshaw, P.S. / Lightbody, K.L. / Veverka, V. / Muskett, F.W. / Kelly, G. / Frenkiel, T.A. / Gordon, S.V. / Hewinson, R.G. / Burke, B. / Norman, J. ...Renshaw, P.S. / Lightbody, K.L. / Veverka, V. / Muskett, F.W. / Kelly, G. / Frenkiel, T.A. / Gordon, S.V. / Hewinson, R.G. / Burke, B. / Norman, J. / Williamson, R.A. / Carr, M.D. / TB Structural Genomics Consortium (TBSGC)
CitationJournal: Embo J. / Year: 2005
Title: Structure and Function of the Complex Formed by the Tuberculosis Virulence Factors Cfp-10 and Esat-6
Authors: Renshaw, P.S. / Lightbody, K.L. / Veverka, V. / Muskett, F.W. / Kelly, G. / Frenkiel, T.A. / Gordon, S.V. / Hewinson, R.G. / Burke, B. / Norman, J. / Williamson, R.A. / Carr, M.D.
History
DepositionOct 25, 2004Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jun 27, 2005Provider: repository / Type: Initial release
Revision 1.1Aug 21, 2019Group: Data collection / Database references / Category: pdbx_database_related / Item: _pdbx_database_related.db_name
Revision 1.2May 15, 2024Group: Data collection / Database references / Other
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_nmr_spectrometer
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_mr / _pdbx_nmr_spectrometer.model
Remark 650 HELIX DETERMINATION METHOD: AUTHOR PROVIDED.

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: ESAT-6 LIKE PROTEIN ESXB
B: 6 KDA EARLY SECRETORY ANTIGENIC TARGET (ESAT-6)


Theoretical massNumber of molelcules
Total (without water)20,5802
Polymers20,5802
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)28 / 100LEAST RESTRAINT VIOLATION
RepresentativeModel #9

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Components

#1: Protein ESAT-6 LIKE PROTEIN ESXB / 10 KDA CULTURE FILTRATE ANTIGEN CFP10 / SECRETED ANTIGENIC PROTEIN MTSA-10


Mass: 10671.546 Da / Num. of mol.: 1 / Fragment: RESIDUES 1-99
Source method: isolated from a genetically manipulated source
Details: PRODUCED MINUS THE N-TERMINAL MET / Source: (gene. exp.) MYCOBACTERIUM BOVIS (bacteria) / Strain: AN5 / Plasmid: PET21A / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: O69739, UniProt: P0A567*PLUS
#2: Protein 6 KDA EARLY SECRETORY ANTIGENIC TARGET (ESAT-6) / ESAT-6


Mass: 9908.800 Da / Num. of mol.: 1 / Fragment: RESIDUES 1-95
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) MYCOBACTERIUM TUBERCULOSIS (bacteria) / Strain: H37RV / Plasmid: PET28A / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q57165, UniProt: P9WNK7*PLUS
Sequence detailsTHE SEQUENCE OF CFP-10 IN THE UNIPROT SEQUENCE DATABASE IS 99 AMINO ACIDS LONG, BUT THE SEQUENCE ...THE SEQUENCE OF CFP-10 IN THE UNIPROT SEQUENCE DATABASE IS 99 AMINO ACIDS LONG, BUT THE SEQUENCE PRESENTED IN THE TUBERCULIST DATABASE AT HTTP://WWW.GENOLIST.PASTEUR.FR/TUBERCULIST/ AND DESCRIBED BY BERHET ET AL., MICROBIOLOGY, VOLUME 144, 3195 (1998) IS 100 AMINO ACIDS LONG WITH A N-TERMINAL METHIONINE. THE SEQUENCE OF EAST-6 IN THE UNIPROT SEQUENCE DATABASE IS 94 AMINO ACIDS LONG. HOWEVER, THE DEFINING PAPER BY SORENSON ET AL., INFECTION AND IMMUNITY, VOLUME 63, 1710(1995) HAS A FULL LENGTH PROTEIN OF 95 AMINO ACIDS INCLUDING AN N-TERMINAL METHIONINE.

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111NOESY
121TOCSY
NMR detailsText: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELED CFP-10 AND ESAT-6.

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Sample preparation

DetailsContents: 90% WATER/10% D2O
Sample conditionsIonic strength: 100 mM / pH: 6.5 / Pressure: 1 atm / Temperature: 308.0 K

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Varian INOVAVarianINOVA8001
Bruker AVANCEBrukerAVANCE6002

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Processing

NMR software
NameDeveloperClassification
CYANAGUNTERT,MUMENTHALER,WUTHRICHrefinement
XEASYstructure solution
RefinementMethod: CANDID / Software ordinal: 1
Details: REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE.
NMR ensembleConformer selection criteria: LEAST RESTRAINT VIOLATION / Conformers calculated total number: 100 / Conformers submitted total number: 28

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