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- PDB-1e5u: NMR Representative Structure of Intimin-190 (Int190) from Enterop... -

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Basic information

Entry
Database: PDB / ID: 1e5u
TitleNMR Representative Structure of Intimin-190 (Int190) from Enteropathogenic E. coli
ComponentsINTIMIN
KeywordsINTIMIN / ESCHERICHIA COLI / CELL ADHESION / OUTER MEMBRANE PROTEIN / NMR SPECTROSCOPY
Function / homology
Function and homology information


cell outer membrane / cell adhesion
Similarity search - Function
Intimin, C-terminal / Intimin C-type lectin domain / Immunoglobulin-like - #1080 / Intimin/invasin bacterial adhesion mediator protein / Inverse autotransporter, beta-domain / Inverse autotransporter, beta-domain superfamily / Bacterial Ig-like domain (group 1) / Inverse autotransporter, beta-domain / Bacterial Ig-like domain (group 1) / Big-1 (bacterial Ig-like domain 1) domain ...Intimin, C-terminal / Intimin C-type lectin domain / Immunoglobulin-like - #1080 / Intimin/invasin bacterial adhesion mediator protein / Inverse autotransporter, beta-domain / Inverse autotransporter, beta-domain superfamily / Bacterial Ig-like domain (group 1) / Inverse autotransporter, beta-domain / Bacterial Ig-like domain (group 1) / Big-1 (bacterial Ig-like domain 1) domain / Big-1 (bacterial Ig-like domain 1) domain profile. / Invasin/intimin cell-adhesion fragments / Bacterial Ig-like domain 2 / Bacterial Ig-like domain, group 2 / Lysin motif / LysM domain / LysM domain profile. / LysM domain / Mannose-Binding Protein A; Chain A / Mannose-Binding Protein A, subunit A / C-type lectin-like/link domain superfamily / C-type lectin fold / Roll / Immunoglobulin-like fold / Immunoglobulin-like / Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
Biological speciesESCHERICHIA COLI (E. coli)
MethodSOLUTION NMR / HYBRID TORSION ANGLE, CARTESIAN CO-ORDINATE DYNAMICS
Model type detailsMINIMIZED AVERAGE
AuthorsPrasannan, S. / Matthews, S.J. / Batchelor, M. / Daniell, S. / Reece, S. / Frankel, G. / Dougan, G. / Connerton, I. / Bloomberg, G.
CitationJournal: Embo J. / Year: 2000
Title: Structural Basis for Recognition of the Translocated Intimin Receptor (Tir) by Intimin from Enteropathogenic E. Coli
Authors: Batchelor, M. / Prasannan, S. / Daniell, S. / Reece, S. / Connerton, I. / Bloomberg, G. / Dougan, G. / Frankel, G. / Matthews, S.J.
History
DepositionAug 2, 2000Deposition site: PDBE / Processing site: PDBE
Revision 1.0Aug 16, 2000Provider: repository / Type: Initial release
SupersessionOct 3, 2000ID: 1E1B
Revision 1.1May 8, 2011Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Remark 650 HELIX DETERMINATION METHOD: AUTHOR PROVIDED.
Remark 700 SHEET DETERMINATION METHOD: AUTHOR PROVIDED.

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
I: INTIMIN


Theoretical massNumber of molelcules
Total (without water)20,0741
Polymers20,0741
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)1 / 15LEAST ENERGY
Representative

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Components

#1: Protein INTIMIN / / INT190


Mass: 20074.328 Da / Num. of mol.: 1 / Fragment: C-TERMINAL 190 RESIDUE-FRAGMENT
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) ESCHERICHIA COLI (E. coli) / Strain: ENTEROPATHOGENIC SEROTYPE O127\:H6 / Description: RECOMBINANT / Cell: BACTERIAL / Cellular location: OUTER MEMBRANE/SURFACE / Gene: EAE / Variant: STRAIN E2348/69 / Plasmid: PET3A/PLYSS / Gene (production host): EAE [TRUNCATION] / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21 / References: UniProt: P19809
Compound detailsFUNCTION: MEDIATES ADHERENCE

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111HSQC
121TRIPLE RESONANCE
13115N-NOESY
14113C-NOESY
NMR detailsText: REPRESENTATIVE STRUCTURE, LEAST ENERGY. RESONANCE ASSIGNMENTS MADE USING TRIPLE RESONANCE EXPERIMENTS WERE FOLLOWED BY COLLATION OF DISTANCE RESTRAINTS USING NOESY EXPERIMENTS ON 15N,13C- ...Text: REPRESENTATIVE STRUCTURE, LEAST ENERGY. RESONANCE ASSIGNMENTS MADE USING TRIPLE RESONANCE EXPERIMENTS WERE FOLLOWED BY COLLATION OF DISTANCE RESTRAINTS USING NOESY EXPERIMENTS ON 15N,13C-LABELLED INT190 EXPERIMENTS ON 15N, 13C-LABELLED INT190. ONE BOND DIPOLAR COUPLINGS WERE MEASURED USING COUPLED HSQC AND TRIPLE RESONANCE EXPERIMENTS.

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Sample preparation

Sample conditionsIonic strength: 20 MM ACETATE / pH: 5.2 / Temperature: 310 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 500 MHz

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Processing

NMR software
NameDeveloperClassification
X-PLORBRUNGERrefinement
XWIN-NMRstructure solution
AURELIAstructure solution
X-PLORstructure solution
RefinementMethod: HYBRID TORSION ANGLE, CARTESIAN CO-ORDINATE DYNAMICS
Software ordinal: 1
Details: INT190 IS A TRUNCATION OF INT280 (30KDA) WHOSE GLOBAL FOLD WAS PUBLISHED IN NATURE STRUCTURAL BIOLOGY (1999) VOL.6, PP. 313-318.
NMR ensembleConformer selection criteria: LEAST ENERGY / Conformers calculated total number: 15 / Conformers submitted total number: 1

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