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Biological Magnetic Resonance Data Bank


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BMRB Entry 7150

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR7150
MolProbity Validation Chart

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Title: Chemical Shift Assignments for the talin F3 sub-domain in complex with a chimeric beta3-integrin/PIPKIg peptide   PubMed: 17218263

Deposition date: 2006-06-06 Original release date: 2007-03-06

Authors: Wegener, Kate; Partridge, Anthony; Han, Jaewon; Bobkov, Andrey; Liddington, Robert; Ginsberg, Mark; Campbell, Iain

Citation: Wegener, Kate; Partridge, Anthony; Han, Jaewon; Pickford, A.; Liddington, Robert; Ginsberg, Mark; Campbell, Iain. "Structural basis of integrin activation by talin"  Cell 128, 171-182 (2007).

Assembly members:
Talin_F3, polymer, 102 residues, 11649.3 Da.
Beta3integrin-PIPKIg chimeric peptide, polymer, 34 residues, 4269.8 Da.

Natural source:   Common Name: Chicken   Taxonomy ID: 9031   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Gallus gallus

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
Talin_F3: GPLGSGVSFFLVKEKMKGKN KLVPRLLGITKESVMRVDEK TKEVIQEWSLTNIKRWAASP KSFTLDFGDYQDGYYSVQTT EGEQIAQLIAGYIDIILKKK KS
Beta3integrin-PIPKIg chimeric peptide: KLLITIHDRKEFAKFEEERA RAKWVXSPLHYSAR

Data sets:
Data typeCount
13C chemical shifts283
15N chemical shifts108
1H chemical shifts989

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Talin F3 domain1
2Integrin/PIPKIg peptide2

Entities:

Entity 1, Talin F3 domain 102 residues - 11649.3 Da.

1   GLYPROLEUGLYSERGLYVALSERPHEPHE
2   LEUVALLYSGLULYSMETLYSGLYLYSASN
3   LYSLEUVALPROARGLEULEUGLYILETHR
4   LYSGLUSERVALMETARGVALASPGLULYS
5   THRLYSGLUVALILEGLNGLUTRPSERLEU
6   THRASNILELYSARGTRPALAALASERPRO
7   LYSSERPHETHRLEUASPPHEGLYASPTYR
8   GLNASPGLYTYRTYRSERVALGLNTHRTHR
9   GLUGLYGLUGLNILEALAGLNLEUILEALA
10   GLYTYRILEASPILEILELEULYSLYSLYS
11   LYSSER

Entity 2, Integrin/PIPKIg peptide 34 residues - 4269.8 Da.

1   LYSLEULEUILETHRILEHISASPARGLYS
2   GLUPHEALALYSPHEGLUGLUGLUARGALA
3   ARGALALYSTRPVALPTRSERPROLEUHIS
4   TYRSERALAARG

Samples:

sample_1: F3, [U-15N], 1.2 mM; Beta3integrin-PIPKIg chimeric peptide 1.4 mM; phosphate buffer 50 mM; Sodium Chloride 100 mM

sample_2: F3, [U-15N; U-2H], 1.9 mM; Beta3integrin-PIPKIg chimeric peptide 1.5 mM; phosphate buffer 50 mM; Sodium Chloride 100 mM

sample_3: F3, [U-15N; U-13C], 1.1 mM; Beta3integrin-PIPKIg chimeric peptide 1.1 mM; phosphate buffer 50 mM; Sodium Chloride 100 mM

conditions_1: ionic strength: 100 mM; pH: 6.1; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1H15N NOESY-HSQCnot availablenot availableconditions_1
2D NOESY (1H-1H)not availablenot availableconditions_1
2D TOCSY (1H-1H)not availablenot availableconditions_1
2D DQF-COSY (1H-1H)not availablenot availableconditions_1
(1H-15N-13C) 2D HNCOnot availablenot availableconditions_1
(1H-15N-13C) 2D HNCAnot availablenot availableconditions_1
(1H-15N-13C) 2D HNCOCAnot availablenot availableconditions_1
(1H-15N-13C) 2D HNCOCACBnot availablenot availableconditions_1

Software:

SPARKY v3.110 -

NMR spectrometers:

  • Home-built . 600MHz MHz
  • Home-built . 750MHz MHz
  • Home-built . 500MHz MHz

Related Database Links:

PDB
GB AAA36121 AAB71380 AHN82190 EAW57680 EAW57681
REF XP_005070100 XP_005369467 XP_005402305 XP_006970595 XP_007633842

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