BMRB Entry 27591

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for BM11596 strain of P[6] VP8* rotavirus
Published: 2020-03-10

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27591

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

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

Deposition date:

2018-08-24

Original release date:

2020-03-10

Authors:

Jiang, Xi; Liu, Yang

Citation:

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).
PubMed: 32208455

Assembly members:

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

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

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

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	460
15N chemical shifts	144
1H chemical shifts	145

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	BM11596 strain of P[6] VP8* rotavirus	1

Entities:

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

1

GLY

SER

VAL

LEU

ASP

GLY

PRO

TYR

GLN

PRO

2

THR

ASN

PHE

LYS

PRO

ASN

ASP

TYR

TRP

3

ILE

LEU

ASN

PRO

THR

ASN

GLN

VAL

4

VAL

LEU

GLU

GLY

THR

ASN

LYS

THR

ASP

ILE

5

TRP

VAL

ALA

LEU

VAL

GLU

PRO

ASN

6

VAL

THR

ASN

GLN

SER

ARG

GLN

TYR

THR

LEU

7

PHE

GLY

GLU

THR

LYS

GLN

ILE

THR

VAL

GLU

8

ASN

THR

ASN

LYS

TRP

LYS

PHE

GLU

9

MET

PHE

ARG

SER

ASN

VAL

SER

ALA

GLU

PHE

10

GLN

HIS

LYS

ARG

THR

LEU

THR

SER

ASP

THR

11

LYS

LEU

ALA

GLY

PHE

MET

LYS

PHE

TYR

ASN

12

SER

VAL

TRP

THR

PHE

HIS

GLY

GLU

THR

PRO

13

HIS

ALA

THR

ASP

TYR

SER

THR

SER

14

ASN

LEU

SER

GLU

VAL

GLU

THR

VAL

ILE

HIS

15

VAL

GLU

PHE

TYR

ILE

PRO

ARG

SER

GLN

16

GLU

SER

LYS

CYS

SER

GLU

TYR

ILE

ASN

THR

17

GLY

LEU

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:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HCACO	sample_1	isotropic	sample_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 HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks