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- PDB-1ceu: NMR STRUCTURE OF THE (1-51) N-TERMINAL DOMAIN OF THE HIV-1 REGULA... -

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Basic information

Entry
Database: PDB / ID: 1ceu
TitleNMR STRUCTURE OF THE (1-51) N-TERMINAL DOMAIN OF THE HIV-1 REGULATORY PROTEIN
ComponentsPROTEIN (HIV-1 REGULATORY PROTEIN N-TERMINAL DOMAIN VPR)
KeywordsVIRAL PROTEIN / REGULATORY PROTEIN / HELICAL DOMAIN / AMPHIPATICITY
Function / homology
Function and homology information


symbiont-mediated arrest of host cell cycle during G2/M transition / monoatomic ion transmembrane transport / virion component / : / protein homooligomerization / viral penetration into host nucleus / host extracellular space / cell cycle / symbiont entry into host cell / DNA-templated transcription ...symbiont-mediated arrest of host cell cycle during G2/M transition / monoatomic ion transmembrane transport / virion component / : / protein homooligomerization / viral penetration into host nucleus / host extracellular space / cell cycle / symbiont entry into host cell / DNA-templated transcription / host cell nucleus / regulation of DNA-templated transcription
Similarity search - Function
Hiv-1 Regulatory Protein N-terminal Domain Vpr; Chain: A; / Hiv-1 Regulatory Protein N-terminal Domain Vpr; Chain: A; - #10 / Retroviral VpR/VpX protein / VPR/VPX protein / Helix non-globular / Special
Similarity search - Domain/homology
MethodSOLUTION NMR / DYNAMICAL SIMULATED ANNEALING, MOLECULAR DYNAMICS, ENERGY MINIMIZATION
AuthorsWecker, K. / Roques, B.P.
CitationJournal: Eur.J.Biochem. / Year: 1999
Title: NMR structure of the (1-51) N-terminal domain of the HIV-1 regulatory protein Vpr.
Authors: Wecker, K. / Roques, B.P.
History
DepositionMar 10, 1999Deposition site: BNL / Processing site: RCSB
Revision 1.0Mar 10, 2000Provider: repository / Type: Initial release
Revision 1.1Apr 26, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 16, 2022Group: Data collection / Database references / Derived calculations
Category: database_2 / pdbx_nmr_software ...database_2 / pdbx_nmr_software / pdbx_struct_assembly / pdbx_struct_oper_list
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name
Revision 1.4Dec 27, 2023Group: Data collection / Category: chem_comp_atom / chem_comp_bond

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: PROTEIN (HIV-1 REGULATORY PROTEIN N-TERMINAL DOMAIN VPR)


Theoretical massNumber of molelcules
Total (without water)6,1731
Polymers6,1731
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 / 16LEAST RESTRAINT VIOLATIONS, LOWEST TOTAL ENERGY
Representative

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Components

#1: Protein PROTEIN (HIV-1 REGULATORY PROTEIN N-TERMINAL DOMAIN VPR)


Mass: 6172.783 Da / Num. of mol.: 1 / Fragment: 1-51 / Source method: obtained synthetically
Details: THIS PROTEIN WAS CHEMICALLY SYNTHESIZED BY SOLID PHASE SYNTHESIS. THE SEQUENCE OF THIS PROTEIN IS FOUND IN THE VPR GENE, HIV-1 LAI ISOLATE VARIANT OF V6750.
References: UniProt: Q73369

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111NOESY
121TOCSY
131E.COSY
NMR detailsText: THE STRUCTURE WAS DETERMINED USING 1H-NMR SPECTROSCOPY ON THE N-TERMINAL DOMAIN (1-51)VPR.

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Sample preparation

Sample conditionspH: 3.4 / Pressure: 1 atm / Temperature: 323 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Bruker AMX600 / Manufacturer: Bruker / Model: AMX600 / Field strength: 600 MHz

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Processing

NMR software
NameDeveloperClassification
DiscoverBIOSYMrefinement
BUXNMRBRUKERstructure solution
BIOSYM/MSI FELIXstructure solution
RefinementMethod: DYNAMICAL SIMULATED ANNEALING, MOLECULAR DYNAMICS, ENERGY MINIMIZATION
Software ordinal: 1
Details: FIFTY STRUCTURES WERE GENERATED BY SIMULATED ANNEALING AND ENERGY MINIMIZATION. THE BEST STRUCTURE SELECTED WITH RESPECT TO RESTRAINT VIOLATIONS AND TOTAL ENERGY IS PRESENTED IN THIS ENTRY.
NMR ensembleConformer selection criteria: LEAST RESTRAINT VIOLATIONS, LOWEST TOTAL ENERGY
Conformers calculated total number: 16 / Conformers submitted total number: 1

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