BMRB Entry 18122

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18122

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
1H, 13C, and 15N resonance assignments of Photoactive Yellow Protein
Deposition date:
2011-12-08
Original release date:
2011-12-16
Authors:
Pool, Trijntje; Oktaviani, Nur; Kamikubo, Hironari; Kataoka, Mikio; Mulder, Frans
Citation:

Citation: Pool, Trijntje; Oktaviani, Nur Alia; Kamikubo, Hironari; Kataoka, Mikio; Mulder, Frans. "(1)H, (13)C, and (15)N resonance assignment of photoactive yellow protein."  Biomol. NMR Assignments 7, 97-100 (2013).
PubMed: 22528767

Assembly members:

Assembly members:
PYP, polymer, 125 residues, Formula weight is not available
HC4, non-polymer, 164.158 Da.

Natural source:

Natural source:   Common Name: Halorhodospira halophila   Taxonomy ID: 1053   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Halorhodospira halophila

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PYP: MEHVAFGSEDIENTLAKMDD GQLDGLAFGAIQLDGDGNIL QYNAAEGDITGRDPKQVIGK NFFKDVAPCTDSPEFYGKFK EGVASGNLNTMFEYTFDYQM TPTKVKVHMKKALSGDSYWV FVKRV

Data sets:
Data typeCount
13C chemical shifts544
15N chemical shifts132
1H chemical shifts699

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1PYP1
2chromophore2

Entities:

Entity 1, PYP 125 residues - Formula weight is not available

1   METGLUHISVALALAPHEGLYSERGLUASP
2   ILEGLUASNTHRLEUALALYSMETASPASP
3   GLYGLNLEUASPGLYLEUALAPHEGLYALA
4   ILEGLNLEUASPGLYASPGLYASNILELEU
5   GLNTYRASNALAALAGLUGLYASPILETHR
6   GLYARGASPPROLYSGLNVALILEGLYLYS
7   ASNPHEPHELYSASPVALALAPROCYSTHR
8   ASPSERPROGLUPHETYRGLYLYSPHELYS
9   GLUGLYVALALASERGLYASNLEUASNTHR
10   METPHEGLUTYRTHRPHEASPTYRGLNMET
11   THRPROTHRLYSVALLYSVALHISMETLYS
12   LYSALALEUSERGLYASPSERTYRTRPVAL
13   PHEVALLYSARGVAL

Entity 2, chromophore - C9 H8 O3 - 164.158 Da.

1   HC4

Samples:

sample_1: PYP, [U-100% 13C; U-100% 15N], 1 mM

sample_conditions_1: ionic strength: 0 M; pH: 5.8; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NH TOCSYsample_1isotropicsample_conditions_1
3D (H)C(CO)NH TOCSYsample_1isotropicsample_conditions_1
2D CG(CB)HB aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D cross polarization HSQC Arosample_1isotropicsample_conditions_1
2D (HBGCBG)CO(CBGCABCON)Hsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D H2CAN Lys, Argsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
2D CB(CGCD)HDsample_1isotropicsample_conditions_1
2D CB(CGCDCE)HEsample_1isotropicsample_conditions_1
2D H2(C)COsample_1isotropicsample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment, peak picking

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

VNMRJ, Varian - collection

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

PDB
EMBL CAA67391
GB AAA61735 AAB28014
SP P16113
AlphaFold P16113

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks