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 18266

Title: Backbone assignment of Dengue Virus NS2B/NS3 in complex with Aprotinin   PubMed: 22623057

Deposition date: 2012-02-15 Original release date: 2012-06-05

Authors: Bi, Yunchen; Zhu, Lei; Wang, Junfeng

Citation: Bi, Yunchen; Zhu, Lei; Li, Hua; Wu, Bo; Liu, Jinsong; Wang, Junfeng. "Backbone 1H, 13C and 15N resonance assignments of dengue virus NS2B-NS3p in complex with aprotinin."  Biomol. NMR Assignments 7, 137-139 (2013).

Assembly members:
entity, polymer, 247 residues, Formula weight is not available
Aprotinin, polymer, 58 residues, Formula weight is not available

Natural source:   Common Name: Dengue virus   Taxonomy ID: 12637   Superkingdom: Viruses   Kingdom: not available   Genus/species: Flavivirus Dengue virus

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

Entity Sequences (FASTA):
entity: GSHMLEADLELERAADVRWE EQAEISGSSPILSITISEDG SMSIKNEEEEQTLGGGGSGG GGAGVLWDVPSPPPVGKAEL EDGAYRIKQKGILGYSQIGA GVYKEGTFHTMWHVTRGAVL MHKGKRIEPSWADVKKDLIS YGGGWKLEGEWKEGEEVQVL ALEPGKNPRAVQTKPGLFKT NTGTIGAVSLDFSPGTSGSP IVDKKGKVVGLYGNGVVTRS GAYVSAIAQTEKSIEDNPEI EDDIFRK
Aprotinin: RPDFCLEPPYTGPCKARIIR YFYNAKAGLCQTFVYGGCRA KRNNFKSAEDCMRTCGGA

Data sets:
Data typeCount
13C chemical shifts530
15N chemical shifts172
1H chemical shifts172

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Dengue Virus NS2B/NS31
2Aprotinin2

Entities:

Entity 1, Dengue Virus NS2B/NS3 247 residues - Formula weight is not available

1   GLYSERHISMETLEUGLUALAASPLEUGLU
2   LEUGLUARGALAALAASPVALARGTRPGLU
3   GLUGLNALAGLUILESERGLYSERSERPRO
4   ILELEUSERILETHRILESERGLUASPGLY
5   SERMETSERILELYSASNGLUGLUGLUGLU
6   GLNTHRLEUGLYGLYGLYGLYSERGLYGLY
7   GLYGLYALAGLYVALLEUTRPASPVALPRO
8   SERPROPROPROVALGLYLYSALAGLULEU
9   GLUASPGLYALATYRARGILELYSGLNLYS
10   GLYILELEUGLYTYRSERGLNILEGLYALA
11   GLYVALTYRLYSGLUGLYTHRPHEHISTHR
12   METTRPHISVALTHRARGGLYALAVALLEU
13   METHISLYSGLYLYSARGILEGLUPROSER
14   TRPALAASPVALLYSLYSASPLEUILESER
15   TYRGLYGLYGLYTRPLYSLEUGLUGLYGLU
16   TRPLYSGLUGLYGLUGLUVALGLNVALLEU
17   ALALEUGLUPROGLYLYSASNPROARGALA
18   VALGLNTHRLYSPROGLYLEUPHELYSTHR
19   ASNTHRGLYTHRILEGLYALAVALSERLEU
20   ASPPHESERPROGLYTHRSERGLYSERPRO
21   ILEVALASPLYSLYSGLYLYSVALVALGLY
22   LEUTYRGLYASNGLYVALVALTHRARGSER
23   GLYALATYRVALSERALAILEALAGLNTHR
24   GLULYSSERILEGLUASPASNPROGLUILE
25   GLUASPASPILEPHEARGLYS

Entity 2, Aprotinin 58 residues - Formula weight is not available

1   ARGPROASPPHECYSLEUGLUPROPROTYR
2   THRGLYPROCYSLYSALAARGILEILEARG
3   TYRPHETYRASNALALYSALAGLYLEUCYS
4   GLNTHRPHEVALTYRGLYGLYCYSARGALA
5   LYSARGASNASNPHELYSSERALAGLUASP
6   CYSMETARGTHRCYSGLYGLYALA

Samples:

sample_1: sodium phosphate 20 mM; sodium chloride 100 mM; NS2B-NS3, [U-100% 13C; U-100% 15N; U-80% 2H], 0.6 mM; Aprotinin 1.2 mM

sample_conditions_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 303 K

Experiments:

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

Software:

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

SPARKY, Goddard - data analysis

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 850 MHz

Related Database Links:

BMRB 19080 19305 19306 1039 1156 1179 236 237 262 263 264 338 411 412 413 414 415 416 419 45 46 48 485 4868 49 4968 5171 5307 5358 5359
PDB
EMBL CAA40704 CAA27062 CAA27063 CAA28371 CAA28886 CAA37967
GB AHG23115 AIC36825 AIE47697 AIE47698 AIE47699 AAA72535 AAB25189 AAD13685 ABX57797 ABX57799
REF NP_739587
SP P27914 P00974
PRF 1405218A 1405218D 1510193A 681071A

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