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- PDB-1qfr: NMR SOLUTION STRUCTURE OF PHOSPHOCARRIER PROTEIN HPR FROM ENTEROC... -

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Basic information

Entry
Database: PDB / ID: 1qfr
TitleNMR SOLUTION STRUCTURE OF PHOSPHOCARRIER PROTEIN HPR FROM ENTEROCOCCUS FAECALIS
ComponentsPHOSPHOCARRIER PROTEIN HPR
KeywordsTRANSPORT PROTEIN / HISTIDINE CONTAINING PHOSPHCARRIER PROTEIN / ENTEROCOCCUS FAECALIS / PROTEIN
Function / homology
Function and homology information


phosphoenolpyruvate-dependent sugar phosphotransferase system / cytoplasm
Similarity search - Function
Phosphotransferase system, HPr histidine phosphorylation site / PTS HPR domain histidine phosphorylation site signature. / Phosphotransferase system, HPr serine phosphorylation site / HPr-like / Phosphocarrier protein HPr-like / HPr-like superfamily / : / PTS HPr component phosphorylation site / PTS HPR domain profile. / Histidine-containing Protein; Chain: A; ...Phosphotransferase system, HPr histidine phosphorylation site / PTS HPR domain histidine phosphorylation site signature. / Phosphotransferase system, HPr serine phosphorylation site / HPr-like / Phosphocarrier protein HPr-like / HPr-like superfamily / : / PTS HPr component phosphorylation site / PTS HPR domain profile. / Histidine-containing Protein; Chain: A; / PTS HPR domain serine phosphorylation site signature. / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
Phosphocarrier protein HPr
Similarity search - Component
Biological speciesEnterococcus faecalis (bacteria)
MethodSOLUTION NMR / ANGULAR SPACE SIMULATED ANNEALING
AuthorsMaurer, T. / Doeker, R. / Goerler, A. / Hengstenberg, W. / Kalbitzer, H.R.
Citation
Journal: Eur.J.Biochem. / Year: 2001
Title: Three-dimensional structure of the histidine-containing phosphocarrier protein (HPr) from Enterococcus faecalis in solution.
Authors: Maurer, T. / Doker, R. / Gorler, A. / Hengstenberg, W. / Kalbitzer, H.R.
#1: Journal: Eur.J.Biochem. / Year: 1998
Title: Structural studies of histidine-containing phosphocarrier protein from Enterococcus faecalis.
Authors: Hahmann, M. / Maurer, T. / Lorenz, M. / Hengstenberg, W. / Glaser, S. / Kalbitzer, H.R.
#2: Journal: Nature / Year: 1993
Title: Active-centre torsion-angle strain revealed in 1.6 A-resolution structure of histidine-containing phosphocarrier protein.
Authors: Jia, Z. / Vandonselaar, M. / Quail, J.W. / Delbaere, L.T.
#3: Journal: Biochemistry / Year: 1986
Title: Streptococcal phosphoenolpyruvate-sugar phosphotransferase system: amino acid sequence and site of ATP-dependent phosphorylation of HPr.
Authors: Deutscher, J. / Pevec, B. / Beyreuther, K. / Kiltz, H.H. / Hengstenberg, W.
History
DepositionApr 13, 1999Deposition site: BNL / Processing site: RCSB
Revision 1.0Feb 28, 2001Provider: repository / Type: Initial release
Revision 1.1Apr 26, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 2.0Nov 27, 2019Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Database references / Derived calculations
Category: atom_site / citation ...atom_site / citation / citation_author / pdbx_nmr_software / pdbx_struct_assembly / pdbx_struct_oper_list / pdbx_validate_close_contact / struct_ref_seq_dif
Item: _atom_site.auth_atom_id / _atom_site.label_atom_id ..._atom_site.auth_atom_id / _atom_site.label_atom_id / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.name / _pdbx_nmr_software.name / _pdbx_validate_close_contact.auth_atom_id_1 / _struct_ref_seq_dif.details
Revision 2.1Dec 27, 2023Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
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Assembly

Deposited unit
A: PHOSPHOCARRIER PROTEIN HPR


Theoretical massNumber of molelcules
Total (without water)9,4591
Polymers9,4591
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_5551
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)16 / 440MINIMUM PENALTY FUNCTION
RepresentativeModel #1

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Components

#1: Protein PHOSPHOCARRIER PROTEIN HPR / HPR / HISTIDINE-CONTAINING PROTEIN


Mass: 9458.729 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Enterococcus faecalis (bacteria) / Strain: S. FAECALIS 26487 / References: UniProt: P07515

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111NOESY
121COSY
131TOCSY
141NOESY-TOCSY
NMR detailsText: THE STRUCTURE WAS DETERMINED BY HOMONUCLEAR NMR EXPERIMENT.

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Sample preparation

DetailsContents: 10% WATER/90% D2O
Sample conditionspH: 7.4 / Pressure: 1 atm / Temperature: 298 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Bruker AMXBrukerAMX5001
Bruker DMXBrukerDMX8002

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Processing

NMR software
NameVersionDeveloperClassification
DYANA1.5GUNTERT, MUMENTHALER, WUTHRICHrefinement
XwinNMRstructure solution
RefinementMethod: ANGULAR SPACE SIMULATED ANNEALING / Software ordinal: 1
Details: STANDARD ANGULAR SPACE SIMULATED ANNEALING PROTOCOLL: CALC_ALL
NMR ensembleConformer selection criteria: MINIMUM PENALTY FUNCTION / Conformers calculated total number: 440 / Conformers submitted total number: 16

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