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 25242

Title: SKELEMIN ASSOCIATION WITH ALFA2B,BETTA3 INTEGRIN: A STRUCTURAL MODEL   PubMed: 25224262

Deposition date: 2014-09-22 Original release date: 2014-09-29

Authors: Gorbatyuk, Vitaliy; Deshmukh, Lalit; Nguyen, Khiem; Vinogradova, Olga

Citation: Gorbatyuk, Vitaliy; Nguyen, Khiem; Podolnikova, Nataly; Deshmukh, Lalit; Lin, Xiaochen; Ugarova, Tatiana; Vinogradova, Olga. "Skelemin Association with AlphaIIbBeta3 Integrin: A Structural Model"  Biochemistry 53, 6766-6775 (2014).

Assembly members:
Sk45, polymer, 231 residues, 27049.8174 Da.

Natural source:   Common Name: Mouse   Taxonomy ID: 10090   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Mus musculus

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

Entity Sequences (FASTA):
Sk45: GSHMEEEMKRLLALSQEHKF PTVPTKSELAVEILEKGQVR FWMQAEKLSSNAKVSYIFNE KEIFEGPKYKMHIDRNTGII EMFMEKLQDEDEGTYTFQIQ DGKATGHSTLVLIGDVYKKL QKEAEFQRQEWIRKQGPHFA EYLSWEVTGESNVLLKCKVA NIKKETHIVWYKDEREISVD EKHDFKDGICTLLITEFSKK DAGFYEVILKDDRGKDKSRL KLVDEAFQDLM

Data sets:
Data typeCount
13C chemical shifts952
15N chemical shifts450
1H chemical shifts2883

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Sk451

Entities:

Entity 1, Sk45 231 residues - 27049.8174 Da.

1   GLYSERHISMETGLUGLUGLUMETLYSARG
2   LEULEUALALEUSERGLNGLUHISLYSPHE
3   PROTHRVALPROTHRLYSSERGLULEUALA
4   VALGLUILELEUGLULYSGLYGLNVALARG
5   PHETRPMETGLNALAGLULYSLEUSERSER
6   ASNALALYSVALSERTYRILEPHEASNGLU
7   LYSGLUILEPHEGLUGLYPROLYSTYRLYS
8   METHISILEASPARGASNTHRGLYILEILE
9   GLUMETPHEMETGLULYSLEUGLNASPGLU
10   ASPGLUGLYTHRTYRTHRPHEGLNILEGLN
11   ASPGLYLYSALATHRGLYHISSERTHRLEU
12   VALLEUILEGLYASPVALTYRLYSLYSLEU
13   GLNLYSGLUALAGLUPHEGLNARGGLNGLU
14   TRPILEARGLYSGLNGLYPROHISPHEALA
15   GLUTYRLEUSERTRPGLUVALTHRGLYGLU
16   SERASNVALLEULEULYSCYSLYSVALALA
17   ASNILELYSLYSGLUTHRHISILEVALTRP
18   TYRLYSASPGLUARGGLUILESERVALASP
19   GLULYSHISASPPHELYSASPGLYILECYS
20   THRLEULEUILETHRGLUPHESERLYSLYS
21   ASPALAGLYPHETYRGLUVALILELEULYS
22   ASPASPARGGLYLYSASPLYSSERARGLEU
23   LYSLEUVALASPGLUALAPHEGLNASPLEU
24   MET

Samples:

sample_new_1: Sk45, [U-13C; U-15N], 0.5 mM; potassium phosphate 20 mM

KPi: ionic strength: 0.020 M; pH: 6.800; pressure: 1.000 atm; temperature: 298.000 K

Experiments:

NameSampleSample stateSample conditions
HSQCsample_new_1solutionKPi
TOCSYsample_new_1solutionKPi
NOESYsample_new_1solutionKPi

Software:

Aria v2.3, Rieping W., Habeck M., Bardiaux B., Bernard A., Malliavin T.E., Nilges M. - NOE assignment and structure calculation

AutoDep v4.3, PDBe - chemical shift assignment

CcpNmr_Analysis v2.2, CCPN - Spectral analysis, chemical shift assignment

DANGLE v1.1, CCPN - Dihedral angle prediction

NMRPipe v3.0, F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax - Spectral processing

XPLOR-NIH vany, Schwieters, Kuszewski, Tjandra and Clore - chemical shift assignment, data analysis

Xplor-NIH v2.33, C.D. Schwieters, J.J. Kuszewski, N. Tjandra and G.M. Clore - Structure calculation

NMR spectrometers:

  • Varian UnityInova 600 MHz

Related Database Links:

UNP MYOM1_MOUSE

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