BMRB Entry 16710

Name: Backbone and C-beta chemical shifts of Spider Roll, NESG target OR24
Published: 2010-05-18

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16710

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

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

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Backbone and C-beta chemical shifts of Spider Roll, NESG target OR24

Deposition date:

2010-02-05

Original release date:

2010-05-18

Authors:

Wu, Yibing; Jha, Ramesh; Kuhlman, Brian; Szyperski, Thomas

Citation:

Citation: Jha, Ramesh; Leaver-Fay, Andrew; Yin, Shuangye; Wu, Yibing; Butterfoss, Glenn; Szyperski, Thomas; Dokholyan, Nikolay; Kuhlman, Brian. "Computational design of a PAK1 binding protein." J. Mol. Biol. 400, 257-270 (2010).
PubMed: 20460129

Assembly members:

Assembly members:
Spider_Roll, polymer, 61 residues, Formula weight is not available

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pQE-80 L (Qiagen) vector

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Spider_Roll: HRQALGERLYPRVQCMQPAF ASKITEMLLELSPAQLENLL ASEDSLRDQVRYAMAGIAFH G

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	151
15N chemical shifts	49
1H chemical shifts	49

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	spider roll	1

Entities:

Entity 1, spider roll 61 residues - Formula weight is not available

1

HIS

ARG

GLN

ALA

LEU

GLY

GLU

ARG

LEU

TYR

2

PRO

ARG

VAL

GLN

CYS

MET

GLN

PRO

ALA

PHE

3

ALA

SER

LYS

ILE

THR

GLU

MET

LEU

GLU

4

LEU

SER

PRO

ALA

GLN

LEU

GLU

ASN

LEU

5

ALA

SER

GLU

ASP

SER

LEU

ARG

ASP

GLN

VAL

6

ARG

TYR

ALA

MET

ALA

GLY

ILE

ALA

PHE

HIS

7

GLY

Samples:

sample_1: Spider Roll 0.2 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.07 M; pH: 7; pressure: 1 atm; temperature: 288 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data prcessing

XEASY, Bartels et al. - data analysis

NMR spectrometers:

Varian INOVA 600 MHz

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