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Biological Magnetic Resonance Data Bank


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BMRB Entry 18002

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18002
MolProbity Validation Chart

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Title: Structural Basis of Phosphoinositide Binding to Kindlin-2 Pleckstrin Homology Domain in Regulating Integrin Activation   PubMed: 22030399

Deposition date: 2011-10-17 Original release date: 2011-11-21

Authors: Liu, Jianmin; Fukuda, Koichi; Xu, Zhen

Citation: Liu, Jianmin; Fukuda, Koichi; Xu, Zhen; Ma, Yan-Qing; Hirbawi, Jamila; Mao, Xian; Wu, Chuanyue; Plow, Edward; Qin, Jun. "Structural basis of phosphoinositide binding to kindlin-2 protein pleckstrin homology domain in regulating integrin activation."  J. Biol. Chem. 286, 43334-43342 (2011).

Assembly members:
Kindlin-2, polymer, 138 residues, 15722.256 Da.
4IP, non-polymer, 500.075 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

Entity Sequences (FASTA):
Kindlin-2: GSHMGDITSIPELADYIKVF KPKKLTLKGYKQYWCTFKDT SISCYKSKEESSGTPAHQMN LRGCEVTPDVNISGQKFNIK LLIPVAEGMNEIWLRCDNEK QYAHWMAACRLASKGKTMAD SSYNLEVQNILSFLKMQH

Data sets:
Data typeCount
13C chemical shifts377
15N chemical shifts129
1H chemical shifts669

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Kindlin-21
24IP2

Entities:

Entity 1, Kindlin-2 138 residues - 15722.256 Da.

1   GLYSERHISMETGLYASPILETHRSERILE
2   PROGLULEUALAASPTYRILELYSVALPHE
3   LYSPROLYSLYSLEUTHRLEULYSGLYTYR
4   LYSGLNTYRTRPCYSTHRPHELYSASPTHR
5   SERILESERCYSTYRLYSSERLYSGLUGLU
6   SERSERGLYTHRPROALAHISGLNMETASN
7   LEUARGGLYCYSGLUVALTHRPROASPVAL
8   ASNILESERGLYGLNLYSPHEASNILELYS
9   LEULEUILEPROVALALAGLUGLYMETASN
10   GLUILETRPLEUARGCYSASPASNGLULYS
11   GLNTYRALAHISTRPMETALAALACYSARG
12   LEUALASERLYSGLYLYSTHRMETALAASP
13   SERSERTYRASNLEUGLUVALGLNASNILE
14   LEUSERPHELEULYSMETGLNHIS

Entity 2, 4IP - C6 H16 O18 P4 - 500.075 Da.

1   4IP

Samples:

sample_1: Kindlin-2, [U-100% 13C; U-100% 15N], 1 mM; 4IP 2 mM; H2O 90%; D2O 10%

sample_2: Kindlin2-PH, [U-100% 13C; U-100% 15N], 1 mM; 4IP 2 mM; D2O 100%

sample_conditions_1: ionic strength: 0.05 M; pH: 6.8; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
3D 15N/13C filtered (F1) [1H-13C]-NOESY-HSQCsample_2isotropicsample_conditions_1
1D 15N/13C filtered (F1) NOESYsample_2isotropicsample_conditions_1
2D 15N/13C filtered (F1) TOCSYsample_2isotropicsample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment, peak picking

xwinnmr, Bruker Biospin - collection

ARIA, Linge, O, . - structure solution

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

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 900 MHz

Related Database Links:

PDB
DBJ BAE38850 BAF84427
EMBL CAA80852 CAD61925
GB AAH17327 AAH33436 AAH83876 AAI51293 AAN75823
REF NP_001011915 NP_001094734 NP_001128471 NP_001128472 NP_001253248
SP Q8CIB5 Q96AC1
TPG DAA25234

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