BMRB Entry 19080

Title:
Backbone assignment of an unlinked NS2B and NS3 protease complex of dengue virus 2
Deposition date:
2013-03-07
Original release date:
2013-06-04
Authors:
Kim, Young Mee; Gayen, Shovanlal; Hwang, Qiwei; Chen, Angela; Kang, Congbao
Citation:

Citation: Kim, Young Mee; Gayen, Shovanlal; Kang, Congbao; Joy, Joma; Huang, Qiwei; Chen, Angela Shuyi; Wee, John Liang Kuan; Ang, Melgious Jin Yan; Lim, Huichang Annie; Hung, Alvin; Li, Rong; Noble, Christian; Lee, Le Tian; Yip, Andy; Wang, Qing-Yin; Chia, Cheng San Brian; Hill, Jeffrey; Shi, Pei-Yong; Keller, Thomas. "NMR Analysis of a Novel Enzymatically Active Unlinked Dengue NS2B-NS3 Protease Complex."  J. Biol. Chem. 288, 12891-12900 (2013).
PubMed: 23511634

Assembly members:

Assembly members:
NS3pro, polymer, 186 residues, Formula weight is not available
NS2B, polymer, 54 residues, 5849.4 Da.

Natural source:

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

Experimental source:

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

Data sets:
Data typeCount
13C chemical shifts568
15N chemical shifts195
1H chemical shifts697

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1NS3pro1
2NS2B2

Entities:

Entity 1, NS3pro 186 residues - Formula weight is not available

182aa From G14 to K185 of DENV2(NP_739587.2) Residues 1-13 represent a non-native affinity tag

1   METGLYSERSERHISHISHISHISHISHIS
2   SERGLNASPPROGLYLYSALAGLULEUGLU
3   ASPGLYALATYRARGILELYSGLNLYSGLY
4   ILELEUGLYTYRSERGLNILEGLYALAGLY
5   VALTYRLYSGLUGLYTHRPHEHISTHRMET
6   TRPHISVALTHRARGGLYALAVALLEUMET
7   HISLYSGLYLYSARGILEGLUPROSERTRP
8   ALAASPVALLYSLYSASPLEUILESERTYR
9   GLYGLYGLYTRPLYSLEUGLUGLYGLUTRP
10   LYSGLUGLYGLUGLUVALGLNVALLEUALA
11   LEUGLUPROGLYLYSASNPROARGALAVAL
12   GLNTHRLYSPROGLYLEUPHELYSTHRASN
13   ALAGLYTHRILEGLYALAVALSERLEUASP
14   PHESERPROGLYTHRSERGLYSERPROILE
15   ILEASPLYSLYSGLYLYSVALVALGLYLEU
16   TYRGLYASNGLYVALVALTHRARGSERGLY
17   ALATYRVALSERALAILEALAGLNTHRGLU
18   LYSSERILEGLUASPASNPROGLUILEGLU
19   ASPASPILEPHEARGLYS

Entity 2, NS2B 54 residues - 5849.4 Da.

53aa From 48S to 100R of DENV2

1   METSERALAASPLEUGLULEUGLUARGALA
2   ALAASPVALLYSTRPGLUASPGLNALAGLU
3   ILESERGLYSERSERPROILELEUSERILE
4   THRILESERGLUASPGLYSERMETSERILE
5   LYSASNGLUGLUGLUGLUGLNTHRLEUTHR
6   ILELEUILEARG

Samples:

sample_1: HEPES 20 mM; DTT 2 mM; NS3pro, [U-100% 13C; U-100% 15N], 0.43 mM; NS2B, [U-100% 13C; U-100% 15N], 0.43 mM

sample_conditions_1: ionic strength: 0.02 M; pH: 7.3; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HCACOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

TOPSPIN v2.1, Bruker Biospin - collection

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

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 700 MHz

Related Database Links:

BMRB 18266 19305 19306 19305 19306
PDB
DBJ BAD42415 BAD42416 BAD42417 BAH86603 BAH86604 BAD36758 BAD36759 BAD36760 BAJ05336
EMBL CAA40704 CAD31751 CAI92123 CAR65133 CAR65134 CAA28968 CAD31751 CAR65133 CAR65135 CAR65136
GB AAA42941 AAA42942 AAA42962 AAA66406 AAA73185 AAA42941 AAA42942 AAA66406 AAA73185 AAA73186
PRF 1301272A 1301272A
REF NP_056776 NP_739587 NP_056776 NP_739586
SP P07564 P12823 P14337 P14340 P27914 P07564 P14337 P14340 P29990 P29991
AlphaFold P14340 P27914 P14337 P12823 P07564 P07564 P14337 P14340 P29990 P29991

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks