BMRB Entry 16063

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16063
MolProbity Validation Chart

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Title:
Solution structure of ILK/PINCH complex
Deposition date:
2008-12-17
Original release date:
2009-04-16
Authors:
Qin, Jun
Citation:

Citation: Yang, Yanwu; Wang, Xiaoxia; Hawkins, Cheryl; Chen, Kan; Vaynberg, Julia; Mao, Xian; Tu, Yizeng; Zuo, Xiaobing; Wang, Jinbu; Wang, Yun-xing; Wu, Chuanyue; Tjandra, Nico; Qin, Jun. "Structural Basis of Focal Adhesion Localization of LIM-only Adaptor PINCH by Integrin-linked Kinase"  J. Biol. Chem. 284, 5836-5844 (2009).
PubMed: 19117955

Assembly members:

Assembly members:
ILK, polymer, 171 residues, 19380.070 Da.
PINCH, polymer, 70 residues, 7963.068 Da.
ZN, non-polymer, 65.409 Da.

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ILK: MDDIFTQCREGNAVAVRLWL DNTENDLNQGDDHGFSPLHW ACREGRSAVVEMLIMRGARI NVMNRGDDTPLHLAASHGHR DIVQKLLQYKADINAVNEHG NVPLHYACFWGQDQVAEDLV ANGALVSICNKYGEMPVDKA KAPLRELLRERAEKMGQNLN RIPYKDTFWKG
PINCH: MANALASATCERCKGGFAPA EKIVNSNGELYHEQCFVCAQ CFQQFPEGLFYEFEGRKYCE HDFQMLFAPC

Data sets:
Data typeCount
13C chemical shifts583
15N chemical shifts190
1H chemical shifts1211

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1ILK1
2PINCH2
3ZINC ION_13
4ZINC ION_23

Entities:

Entity 1, ILK 171 residues - 19380.070 Da.

1   METASPASPILEPHETHRGLNCYSARGGLU
2   GLYASNALAVALALAVALARGLEUTRPLEU
3   ASPASNTHRGLUASNASPLEUASNGLNGLY
4   ASPASPHISGLYPHESERPROLEUHISTRP
5   ALACYSARGGLUGLYARGSERALAVALVAL
6   GLUMETLEUILEMETARGGLYALAARGILE
7   ASNVALMETASNARGGLYASPASPTHRPRO
8   LEUHISLEUALAALASERHISGLYHISARG
9   ASPILEVALGLNLYSLEULEUGLNTYRLYS
10   ALAASPILEASNALAVALASNGLUHISGLY
11   ASNVALPROLEUHISTYRALACYSPHETRP
12   GLYGLNASPGLNVALALAGLUASPLEUVAL
13   ALAASNGLYALALEUVALSERILECYSASN
14   LYSTYRGLYGLUMETPROVALASPLYSALA
15   LYSALAPROLEUARGGLULEULEUARGGLU
16   ARGALAGLULYSMETGLYGLNASNLEUASN
17   ARGILEPROTYRLYSASPTHRPHETRPLYS
18   GLY

Entity 2, PINCH 70 residues - 7963.068 Da.

1   METALAASNALALEUALASERALATHRCYS
2   GLUARGCYSLYSGLYGLYPHEALAPROALA
3   GLULYSILEVALASNSERASNGLYGLULEU
4   TYRHISGLUGLNCYSPHEVALCYSALAGLN
5   CYSPHEGLNGLNPHEPROGLUGLYLEUPHE
6   TYRGLUPHEGLUGLYARGLYSTYRCYSGLU
7   HISASPPHEGLNMETLEUPHEALAPROCYS

Entity 3, ZINC ION_1 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: entity_1, [U-100% 15N], 0.1-0.5 mM; entity_1, [U-100% 13C; U-100% 15N], 0.1-0.5 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

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

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

PDB
DBJ BAG73298 BAH12404 BAH56666 BAG35111 BAG60588 BAH14581
EMBL CAB94832 CAB99253 CAG28601 CAH18077 CAH92862
GB AAB94646 AAC16892 AAF70501 AAF74449 AAH01554 AAF99328 AAH93812 AAI12234 AAY14903 AAY24131
PRF 2202330A
REF NP_001014794 NP_001014795 NP_001029865 NP_001126674 NP_001155196 NP_001192217 NP_277049 XP_002811796 XP_002929430 XP_003309226
SP O55222 P57044 Q13418 Q3SWY2 Q5R5V4 P0CW19 P0CW20
TPG DAA22142
BMRB 4884
AlphaFold O55222 P57044 Q13418 Q3SWY2 Q5R5V4 P0CW19 P0CW20

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