BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 18021

Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments of Mg2+ bound Human Integrin Alpha1 I-domain   PubMed: 23339031

Deposition date: 2011-10-25 Original release date: 2013-02-19

Authors: Chin, Yanni; Headey, Stephen; McEwan, Paul; Emsley, Jonas; Simpson, Jamie; Scanlon, Martin

Citation: Chin, Yanni K-Y; Headey, Stephen; Mohanty, Biswaranjan; Emsley, Jonas; Simpson, Jamie; Scanlon, Martin. "Assignments of human integrin a1I domain in the apo and Mg2+ bound states."  Biomol. NMR Assignments 8, 117-121 (2014).

Assembly members:
Integrin_Alpha1_I-domain, polymer, 192 residues, 21485 Da.
MG, non-polymer, 24.305 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: p28a+

Entity Sequences (FASTA):
Integrin_Alpha1_I-domain: STQLDIVIVLDGSNSIYPWD SVTAFLNDLLERMDIGPKQT QVGIVQYGENVTHEFNLNKY SSTEEVLVAAKKIVQRGGRQ TMTALGIDTARKEAFTEARG ARRGVKKVMVIVTDGESHDN HRLKKVIQDCEDENIQRFSI AILGSYNRGNLSTEKFVEEI KSIASEPTEKHFFNVSDELA LVTIVKTLGERI

Data sets:
Data typeCount
13C chemical shifts538
15N chemical shifts178
1H chemical shifts178

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Alpha1 I-domain1
2Mg2+2

Entities:

Entity 1, Alpha1 I-domain 192 residues - 21485 Da.

1   SERTHRGLNLEUASPILEVALILEVALLEU
2   ASPGLYSERASNSERILETYRPROTRPASP
3   SERVALTHRALAPHELEUASNASPLEULEU
4   GLUARGMETASPILEGLYPROLYSGLNTHR
5   GLNVALGLYILEVALGLNTYRGLYGLUASN
6   VALTHRHISGLUPHEASNLEUASNLYSTYR
7   SERSERTHRGLUGLUVALLEUVALALAALA
8   LYSLYSILEVALGLNARGGLYGLYARGGLN
9   THRMETTHRALALEUGLYILEASPTHRALA
10   ARGLYSGLUALAPHETHRGLUALAARGGLY
11   ALAARGARGGLYVALLYSLYSVALMETVAL
12   ILEVALTHRASPGLYGLUSERHISASPASN
13   HISARGLEULYSLYSVALILEGLNASPCYS
14   GLUASPGLUASNILEGLNARGPHESERILE
15   ALAILELEUGLYSERTYRASNARGGLYASN
16   LEUSERTHRGLULYSPHEVALGLUGLUILE
17   LYSSERILEALASERGLUPROTHRGLULYS
18   HISPHEPHEASNVALSERASPGLULEUALA
19   LEUVALTHRILEVALLYSTHRLEUGLYGLU
20   ARGILE

Entity 2, Mg2+ - Mg - 24.305 Da.

1   MG

Samples:

1H_13C_15N_Alpha1I+Mg: Integrin Alpha1 I-domain, [U-99% 13C; U-99% 15N], 0.4 mM; HEPES 50 mM; sodium chloride 50 mM; Magnesium chloride 5 mM; H2O 90%; D2O 10%

Mg_Condition: pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC1H_13C_15N_Alpha1I+MgisotropicMg_Condition
3D CBCA(CO)NH1H_13C_15N_Alpha1I+MgisotropicMg_Condition
3D HNCO1H_13C_15N_Alpha1I+MgisotropicMg_Condition
3D HNCACB1H_13C_15N_Alpha1I+MgisotropicMg_Condition
3D HCACO1H_13C_15N_Alpha1I+MgisotropicMg_Condition

Software:

TOPSPIN, Bruker Biospin - processing

XEASY, Bartels et al. - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

BMRB 18020 18942
PDB
DBJ BAG62150
GB AAI37122 AAI37123 EAW54866 EAW54867 EAW54868
REF NP_852478 XP_001094788 XP_002815595 XP_003276564 XP_003827398
SP P56199

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