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 26951

Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for USP7 catalytic domain   PubMed: 29056420

Deposition date: 2016-11-22 Original release date: 2016-12-01

Authors: Pozhidaeva, Alexandra; Bezsonova, Irina

Citation: Pozhidaeva, Alexandra; Valles, Gabrielle; Wang, Feng; Wu, Jian; Sterner, David; Nguyen, Phuong; Weinstock, Joseph; Kumar, K; Kanyo, Jean; Wright, Dennis; Bezsonova, Irina. "USP7-Specific Inhibitors Target and Modify the Enzyme's Active Site via Distinct Chemical Mechanisms"  Cell Chem. Biol. 24, 1501-11512.e5 (2017).

Assembly members:
USP7, polymer, 356 residues, Formula weight is not available

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   Vector: pET28a-LIC

Entity Sequences (FASTA):
USP7: GSSKKHTGYVGLKNQGATCY MNSLLQTLFFTNQLRKAVYM MPTEGDDSSKSVPLALQRVF YELQHSDKPVGTKKLTKSFG WETLDSFMQHDVQELCRVLL DNVENKMKGTCVEGTIPKLF RGKMVSYIQCKEVDYRSDRR EDYYDIQLSIKGKKNIFESF VDYVAVEQLDGDNKYDAGEH GLQEAEKGVKFLTLPPVLHL QLMRFMYDPQTDQNIKINDR FEFPEQLPLDEFLQKTDPKD PANYILHAVLVHSGDNHGGH YVVYLNPKGDGKWCKFDDDV VSRCTKEEAIEHNYGGHDDD LSVRHCTNAYMLVYIRESKL SEVLQAVTDHDIPQQLVERL QEEKRIEAQKRKERQE

Data sets:
Data typeCount
13C chemical shifts872
15N chemical shifts284
1H chemical shifts284

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1USP7 catalytic domain1

Entities:

Entity 1, USP7 catalytic domain 356 residues - Formula weight is not available

The first two residues GS remain after the cleavage of an affinity tag

1   GLYSERSERLYSLYSHISTHRGLYTYRVAL
2   GLYLEULYSASNGLNGLYALATHRCYSTYR
3   METASNSERLEULEUGLNTHRLEUPHEPHE
4   THRASNGLNLEUARGLYSALAVALTYRMET
5   METPROTHRGLUGLYASPASPSERSERLYS
6   SERVALPROLEUALALEUGLNARGVALPHE
7   TYRGLULEUGLNHISSERASPLYSPROVAL
8   GLYTHRLYSLYSLEUTHRLYSSERPHEGLY
9   TRPGLUTHRLEUASPSERPHEMETGLNHIS
10   ASPVALGLNGLULEUCYSARGVALLEULEU
11   ASPASNVALGLUASNLYSMETLYSGLYTHR
12   CYSVALGLUGLYTHRILEPROLYSLEUPHE
13   ARGGLYLYSMETVALSERTYRILEGLNCYS
14   LYSGLUVALASPTYRARGSERASPARGARG
15   GLUASPTYRTYRASPILEGLNLEUSERILE
16   LYSGLYLYSLYSASNILEPHEGLUSERPHE
17   VALASPTYRVALALAVALGLUGLNLEUASP
18   GLYASPASNLYSTYRASPALAGLYGLUHIS
19   GLYLEUGLNGLUALAGLULYSGLYVALLYS
20   PHELEUTHRLEUPROPROVALLEUHISLEU
21   GLNLEUMETARGPHEMETTYRASPPROGLN
22   THRASPGLNASNILELYSILEASNASPARG
23   PHEGLUPHEPROGLUGLNLEUPROLEUASP
24   GLUPHELEUGLNLYSTHRASPPROLYSASP
25   PROALAASNTYRILELEUHISALAVALLEU
26   VALHISSERGLYASPASNHISGLYGLYHIS
27   TYRVALVALTYRLEUASNPROLYSGLYASP
28   GLYLYSTRPCYSLYSPHEASPASPASPVAL
29   VALSERARGCYSTHRLYSGLUGLUALAILE
30   GLUHISASNTYRGLYGLYHISASPASPASP
31   LEUSERVALARGHISCYSTHRASNALATYR
32   METLEUVALTYRILEARGGLUSERLYSLEU
33   SERGLUVALLEUGLNALAVALTHRASPHIS
34   ASPILEPROGLNGLNLEUVALGLUARGLEU
35   GLNGLUGLULYSARGILEGLUALAGLNLYS
36   ARGLYSGLUARGGLNGLU

Samples:

sample_1: USP7, [U-13C; U-15N; U-2H], 0.43 mM; HEPES 20 mM; sodium chloride 100 mM; DTT 4 mM; D2O 10%; sodium azide 0.05%; H2O 90%

sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

VNMRJ, Varian - collection

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

CcpNMR_Analysis, CCPN - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Agilent INOVA 800 MHz

Related Database Links:

NCBI NP_003461.2

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