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 16496

Title: PLATELET INTEGRIN ALFAIIB-BETA3 TRANSMEMBRANE- CYTOPLASMIC HETEROCOMPLEX   PubMed: 19805198

Deposition date: 2009-09-15 Original release date: 2009-12-18

Authors: Yang, Jun; Ma, Yan-Qing; Page, Richard; Misra, Saurav; Plow, Edward; Qin, Jun

Citation: Yang, Jun; Ma, Yan-Qing; Page, Richard; Misra, Saurav; Plow, Edward; Qin, Jun. "Structure of an integrin alphaIIb beta3 transmembrane-cytoplasmic heterocomplex provides insight into integrin activation."  Proc. Natl. Acad. Sci. U.S.A. 106, 17729-17734 (2009).

Assembly members:
AIIbTMCD, polymer, 54 residues, 5653.673 Da.
B3TMCD, polymer, 79 residues, 8371.900 Da.

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

Experimental source:   Production method: recombinant technology' 'Escherichia coli

Entity Sequences (FASTA):
AIIbTMCD: GAMGSEERAIPIWWVLVGVL GGLLLLTILVLAMWKVGFFK RNRPPLEEDDEEGE
B3TMCD: GAMGSKGPDILVVLLSVMGA ILLIGLAALLIWKLLITIHD RKEFAKFEEERARAKWDTAN NPLYKEATSTFTNITYRGT

Data sets:
Data typeCount
13C chemical shifts529
15N chemical shifts140
1H chemical shifts860

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 54 residues - 5653.673 Da.

Residues 1-5 is a non-native remaining after enzymatic cleavage

1   GLYALAMETGLYSERGLUGLUARGALAILE
2   PROILETRPTRPVALLEUVALGLYVALLEU
3   GLYGLYLEULEULEULEUTHRILELEUVAL
4   LEUALAMETTRPLYSVALGLYPHEPHELYS
5   ARGASNARGPROPROLEUGLUGLUASPASP
6   GLUGLUGLYGLU

Entity 2, entity_2 79 residues - 8371.900 Da.

Residues 1-5 is a non-native remaining after enzymatic cleavage

1   GLYALAMETGLYSERLYSGLYPROASPILE
2   LEUVALVALLEULEUSERVALMETGLYALA
3   ILELEULEUILEGLYLEUALAALALEULEU
4   ILETRPLYSLEULEUILETHRILEHISASP
5   ARGLYSGLUPHEALALYSPHEGLUGLUGLU
6   ARGALAARGALALYSTRPASPTHRALAASN
7   ASNPROLEUTYRLYSGLUALATHRSERTHR
8   PHETHRASNILETHRTYRARGGLYTHR

Samples:

sample_1: AIIbTMCD, [U-100% 13C; U-100% 15N], 0.2 mM; B3TMCD 0.6 mM; CD3CN 50%; H2O 50%; TFA 0.1%

sample_2: B3TMCD, [U-100% 13C; U-100% 15N], 0.2 mM; AIIbTMCD 0.6 mM; CD3CN 50%; H2O 50%; TFA 0.1%

sample_3: B3TMCD, [U-100% 2H; U-100% 15N], 0.4 mM; AIIbTMCD 1.2 mM; CD3CN 50%; H2O 50%; TFA 0.1%

sample_4: AIIbTMCD, [U-100% 2H; U-100% 15N], 0.4 mM; B3TMCD 1.2 mM; CD3CN 50%; H2O 50%; TFA 0.1%

sample_conditions_1: pH: .; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_2isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_2isotropicsample_conditions_1
3D 13C-15N NOESYsample_1isotropicsample_conditions_1
3D 13C-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_3isotropicsample_conditions_1
3D 1H-15N NOESYsample_4isotropicsample_conditions_1

Software:

X-PLOR NIH v2.15.0, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMRPipe v2.4, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

PASA, Xu, Wang, Yang, Vaynberg, Qin - chemical shift assignment

Procheck, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho - structure validation

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz
  • Bruker Avance 900 MHz

Related Database Links:

BMRB 16497 15552 16771 17930 17932
PDB
DBJ BAG37735 BAI46167 BAE34283 BAG62151 BAJ17755
EMBL CAA29987 CAD29521
GB AAA52597 AAA53150 AAA60114 AAA65936 AAI17444 AAA35927 AAA52589 AAA52600 AAA60122 AAB27096
PRF 1403305A
REF NP_000410 XP_001114526 XP_001150497 XP_002827479 XP_003282434 NP_000203 NP_001003162 NP_001075271 NP_001075535 NP_001193419
SP P08514 P53711 O54890 P05106
TPG DAA18403

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