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- PDB-1a23: SOLUTION NMR STRUCTURE OF REDUCED DSBA FROM ESCHERICHIA COLI, MIN... -

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Basic information

Entry
Database: PDB / ID: 1a23
TitleSOLUTION NMR STRUCTURE OF REDUCED DSBA FROM ESCHERICHIA COLI, MINIMIZED AVERAGE STRUCTURE
ComponentsDSBA
KeywordsOXIDOREDUCTASE / THIOL-DISULFIDE OXIDOREDUCTASE / INTRODUCTION OF DISULFIDE BONDS / PROTEIN FOLDING / REDOX-ACTIVE CENTER
Function / homology
Function and homology information


cellular response to antibiotic / protein disulfide isomerase activity / protein-disulfide reductase activity / outer membrane-bounded periplasmic space / periplasmic space / oxidoreductase activity
Similarity search - Function
Thiol:disulphide interchange protein DsbA/DsbL / DSBA-like thioredoxin domain / DSBA-like thioredoxin domain / Thioredoxin, conserved site / Thioredoxin family active site. / Thioredoxin domain profile. / Thioredoxin domain / Glutaredoxin / Glutaredoxin / Thioredoxin-like superfamily ...Thiol:disulphide interchange protein DsbA/DsbL / DSBA-like thioredoxin domain / DSBA-like thioredoxin domain / Thioredoxin, conserved site / Thioredoxin family active site. / Thioredoxin domain profile. / Thioredoxin domain / Glutaredoxin / Glutaredoxin / Thioredoxin-like superfamily / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
Thiol:disulfide interchange protein DsbA / Thiol:disulfide interchange protein DsbA
Similarity search - Component
Biological speciesEscherichia coli (E. coli)
MethodSOLUTION NMR / simulated annealing
AuthorsSchirra, H.J. / Renner, C. / Czisch, M. / Huber-Wunderlich, M. / Holak, T.A. / Glockshuber, R.
CitationJournal: Biochemistry / Year: 1998
Title: Structure of reduced DsbA from Escherichia coli in solution.
Authors: Schirra, H.J. / Renner, C. / Czisch, M. / Huber-Wunderlich, M. / Holak, T.A. / Glockshuber, R.
History
DepositionJan 15, 1998Processing site: BNL
Revision 1.0Sep 16, 1998Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 16, 2022Group: Database references / Derived calculations / Other
Category: database_2 / pdbx_database_status ...database_2 / pdbx_database_status / pdbx_struct_assembly / pdbx_struct_oper_list
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.process_site

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: DSBA


Theoretical massNumber of molelcules
Total (without water)21,1551
Polymers21,1551
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 / 80ENERGY MINIMIZED MEAN STRUCTURE
Representative

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Components

#1: Protein DSBA /


Mass: 21155.025 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Strain: THZ2 / Cellular location: PERIPLASM / Gene: DSBA / Plasmid: PDSBA2 / Cellular location (production host): PERIPLASM / Gene (production host): DSBA / Production host: Escherichia coli (E. coli) / Strain (production host): THZ2 / References: UniProt: P24991, UniProt: P0AEG4*PLUS

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
11115N-NOESY-HSQC
12113C-NOESY-HSQC
13115N-HSQC
14113C-HSQC
151HNCA
161HNCO
171CBCA(CO)NH
181HN(CA)CO
191HNHA
1101HBHA(CBCACO)NH
1111NOESY
1121TOCSY
1131(H)CCH-TOCSY
NMR detailsText: THE STRUCTURE WAS DETERMINED WITH TRIPLE-RESONANCE NMR SPECTROSCOPY AND MULTIDIMENSIONAL NMR EXPERIMENTS ON 13C/15N LABELED DSBA

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Sample preparation

DetailsContents: 20 MM SODIUM PHOSPHATE IN H2O
Sample conditionsIonic strength: 20mM / pH: 3.7 / Pressure: 1013 HPA / Temperature: 300 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Bruker AMX600BrukerAMX6006001
Bruker DRX600BrukerDRX6007502
Bruker DMX750BrukerDMX7507503

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Processing

Software
NameVersionClassification
X-PLOR3.851model building
X-PLOR3.851refinement
X-PLOR3.851phasing
NMR software
NameVersionDeveloperClassification
X-PLOR3.851BRUNGERrefinement
CCNMRstructure solution
RefinementMethod: simulated annealing / Software ordinal: 1
NMR ensembleConformer selection criteria: ENERGY MINIMIZED MEAN STRUCTURE
Conformers calculated total number: 80 / Conformers submitted total number: 1

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