BMRB Entry 50241

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50241

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Title:
Chemical Shifts of Vitronectin Hemopexin-like Domain with DHPC and CaCl2
Deposition date:
2020-04-21
Original release date:
2020-07-01
Authors:
Shin, Kyungsoo; Kent, James; Singh, Chandan; Fujimoto, Lynn; Yu, Jinghua; Tian, Ye; Im, Wonpil; Marassi, Francesca
Citation:

Citation: Shin, Kyungsoo; Kent, James; Singh, Chandan; Fujimoto, Lynn; Yu, Jinghua; Tian, Ye; Im, Wonpil; Marassi, Francesca. "Calcium and hydroxyapatite binding site of human vitronectin provides new insights to abnormal deposit formation"  Proc. Natl. Acad. Sci. U.S.A. 117, 18504-18510 (2020).
PubMed: 32699145

Assembly members:

Assembly members:
entity_1, polymer, 204 residues, Formula weight is not available
entity_CA, non-polymer, 40.078 Da.

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET23a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MELCSGKPFDAFTDLKNGSL FAFRGQYSYELDEKAVRPGY PKLIRDVWGIEGPIDAAFTR INSQGKTYLFKGSQYWRFED GVLDPDYPRNISDGFDGIPD NVDAALALPAHSYSGRERVY FFKGKQYWEYQFQRTSAGTR QPQFISRDWHGVPGQVDAAM AGRISVFFFSGDKYYRVNLR TRRVDTVDPPYPRSIAQYWL GCPA

Data sets:
Data typeCount
13C chemical shifts529
15N chemical shifts176
1H chemical shifts176

Additional metadata:

  • Assembly
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Vitronectin hemopexin-like domain1
2Calcium ion, 12

Entities:

Entity 1, Vitronectin hemopexin-like domain 204 residues - Formula weight is not available

1   METGLULEUCYSSERGLYLYSPROPHEASP
2   ALAPHETHRASPLEULYSASNGLYSERLEU
3   PHEALAPHEARGGLYGLNTYRSERTYRGLU
4   LEUASPGLULYSALAVALARGPROGLYTYR
5   PROLYSLEUILEARGASPVALTRPGLYILE
6   GLUGLYPROILEASPALAALAPHETHRARG
7   ILEASNSERGLNGLYLYSTHRTYRLEUPHE
8   LYSGLYSERGLNTYRTRPARGPHEGLUASP
9   GLYVALLEUASPPROASPTYRPROARGASN
10   ILESERASPGLYPHEASPGLYILEPROASP
11   ASNVALASPALAALALEUALALEUPROALA
12   HISSERTYRSERGLYARGGLUARGVALTYR
13   PHEPHELYSGLYLYSGLNTYRTRPGLUTYR
14   GLNPHEGLNARGTHRSERALAGLYTHRARG
15   GLNPROGLNPHEILESERARGASPTRPHIS
16   GLYVALPROGLYGLNVALASPALAALAMET
17   ALAGLYARGILESERVALPHEPHEPHESER
18   GLYASPLYSTYRTYRARGVALASNLEUARG
19   THRARGARGVALASPTHRVALASPPROPRO
20   TYRPROARGSERILEALAGLNTYRTRPLEU
21   GLYCYSPROALA

Entity 2, Calcium ion, 1 - Ca - 40.078 Da.

1   CA

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SPARKY: Backbone or all simulated peaks