BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 27591

Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for BM11596 strain of P[6] VP8* rotavirus   PubMed: 32208455

Deposition date: 2018-08-24 Original release date: 2020-03-10

Authors: Jiang, Xi; Liu, Yang

Citation: Xu, Shenyuan; Ahmed, Luay; Stuckert, Michael; McGinnis, Kristen; Liu, Yang; Tan, Ming; Huang, Pengwei; Zhong, Weiming; Zhao, Dandan; Jiang, Xi; Kennedy, Michael. "Molecular basis of P[II] major human rotavirus VP8* domain recognition of histo-blood group antigens"  PLOS Pathogens 16, e1008386-e1008386 (2020).

Assembly members:
BM11596, polymer, 162 residues, Formula weight is not available

Natural source:   Common Name: Rotavirus   Taxonomy ID: 10912   Superkingdom: Viruses   Kingdom: not available   Genus/species: Rotavirus not available

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pGEX- 4T-1

Entity Sequences (FASTA):
BM11596: GSVLDGPYQPTNFKPPNDYW ILLNPTNQQVVLEGTNKTDI WVALLLVEPNVTNQSRQYTL FGETKQITVENNTNKWKFFE MFRSNVSAEFQHKRTLTSDT KLAGFMKFYNSVWTFHGETP HATTDYSSTSNLSEVETVIH VEFYIIPRSQESKCSEYINT GL

Data sets:
Data typeCount
13C chemical shifts460
15N chemical shifts144
1H chemical shifts145

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1BM11596 strain of P[6] VP8* rotavirus1

Entities:

Entity 1, BM11596 strain of P[6] VP8* rotavirus 162 residues - Formula weight is not available

1   GLYSERVALLEUASPGLYPROTYRGLNPRO
2   THRASNPHELYSPROPROASNASPTYRTRP
3   ILELEULEUASNPROTHRASNGLNGLNVAL
4   VALLEUGLUGLYTHRASNLYSTHRASPILE
5   TRPVALALALEULEULEUVALGLUPROASN
6   VALTHRASNGLNSERARGGLNTYRTHRLEU
7   PHEGLYGLUTHRLYSGLNILETHRVALGLU
8   ASNASNTHRASNLYSTRPLYSPHEPHEGLU
9   METPHEARGSERASNVALSERALAGLUPHE
10   GLNHISLYSARGTHRLEUTHRSERASPTHR
11   LYSLEUALAGLYPHEMETLYSPHETYRASN
12   SERVALTRPTHRPHEHISGLYGLUTHRPRO
13   HISALATHRTHRASPTYRSERSERTHRSER
14   ASNLEUSERGLUVALGLUTHRVALILEHIS
15   VALGLUPHETYRILEILEPROARGSERGLN
16   GLUSERLYSCYSSERGLUTYRILEASNTHR
17   GLYLEU

Samples:

sample_1: P[6] VP8* polypeptide, [U-100% 13C; U-100% 15N], 600 uM; sodium chloride 137 mM; potassium chloride 2.7 mM; sodium phosphate 10 mM; potassium phosphate 1.8 mM

sample_conditions_1: ionic strength: 200 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HCACOsample_1isotropicsample_conditions_1

Software:

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

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 850 MHz
  • Bruker Avance 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts