BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 17251

Title: the N-terminal domain of SARS-CoV main protease   PubMed: 21181312

Deposition date: 2010-10-12 Original release date: 2011-01-18

Authors: Zhang, Shengnan; Zhong, Nan; Ren, Xiaobai; Jin, Changwen; Xia, Bin

Citation: Zhang, Shengnan; Zhong, Nan; Ren, Xiaobai; Jin, Changwen; Xia, Bin. "1H, 13C and 15N resonance assignments of SARS-CoV main protease N-terminal domain."  Biomol. NMR Assignments 5, 143-145 (2011).

Assembly members:
main_protease_N-terminal_domain, polymer, 199 residues, Formula weight is not available

Natural source:   Common Name: SARS coronavirus   Taxonomy ID: 227859   Superkingdom: virus   Kingdom: not available   Genus/species: Betacoronavirus Severe acute respiratory syndrome-related coronavirus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET21a

Entity Sequences (FASTA):
main_protease_N-terminal_domain: SGFRKMAFPSGKVEGCMVQV TCGTTTLNGLWLDDTVYCPR HVICTAEDMLNPNYEDLLIR KSNHSFLVQAGNVQLRVIGH SMQNCLLRLKVDTSNPKTPK YKFVRIQPGQTFSVLACYNG SPSGVYQCAMRPNHTIKGSF LNGSCGSVGFNIDYDCVSFC YMHHMELPTGVHAGTDLEGK FYGPFVDRQTAQAAGTDTT

Data sets:
Data typeCount
13C chemical shifts762
15N chemical shifts198
1H chemical shifts1225

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1SARS-CoV main protease N-terminal domain1

Entities:

Entity 1, SARS-CoV main protease N-terminal domain 199 residues - Formula weight is not available

1   SERGLYPHEARGLYSMETALAPHEPROSER
2   GLYLYSVALGLUGLYCYSMETVALGLNVAL
3   THRCYSGLYTHRTHRTHRLEUASNGLYLEU
4   TRPLEUASPASPTHRVALTYRCYSPROARG
5   HISVALILECYSTHRALAGLUASPMETLEU
6   ASNPROASNTYRGLUASPLEULEUILEARG
7   LYSSERASNHISSERPHELEUVALGLNALA
8   GLYASNVALGLNLEUARGVALILEGLYHIS
9   SERMETGLNASNCYSLEULEUARGLEULYS
10   VALASPTHRSERASNPROLYSTHRPROLYS
11   TYRLYSPHEVALARGILEGLNPROGLYGLN
12   THRPHESERVALLEUALACYSTYRASNGLY
13   SERPROSERGLYVALTYRGLNCYSALAMET
14   ARGPROASNHISTHRILELYSGLYSERPHE
15   LEUASNGLYSERCYSGLYSERVALGLYPHE
16   ASNILEASPTYRASPCYSVALSERPHECYS
17   TYRMETHISHISMETGLULEUPROTHRGLY
18   VALHISALAGLYTHRASPLEUGLUGLYLYS
19   PHETYRGLYPROPHEVALASPARGGLNTHR
20   ALAGLNALAALAGLYTHRASPTHRTHR

Samples:

sample_1: main protease N-terminal domain, [U-13C; U-15N], 0.7 mM; potassium phosphate 50 mM; sodium chloride 50 mM; Argine 30 mM; Glutamine acid 30 mM; EDTA 1 mM; DTT 10 mM; D2O 10%; H2O 90%; sodium azide 0.05 w/v; DSS 0.02 w/v

sample_conditions_1: ionic strength: 170 mM; pH: 7.0; pressure: 1 atm; temperature: 308 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 HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1

Software:

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

NMRView, Johnson, One Moon Scientific - data analysis

xwinnmr, Bruker Biospin - collection

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker Avance 600 MHz

Related Database Links:

PDB
DBJ BAC81346 BAC81347 BAC81360 BAC81361 BAC81374
GB AAP13439 AAP13442 AAP13566 AAP13575 AAP30028
REF NP_828849 NP_828850 NP_828863
SP P0C6F5 P0C6F8 P0C6T7 P0C6U8 P0C6V9

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