BMRB Entry 11053

Name: Chemical shifts assignment for the West Nile virus NS2B(K96A)-NS3 protease
Published: 2009-07-14

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11053

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Chemical shifts assignment for the West Nile virus NS2B(K96A)-NS3 protease

Deposition date:

2008-07-24

Original release date:

2009-07-14

Authors:

Yagi, Hiromasa

Citation:

Citation: Su, Xun-Cheng; Ozawa, Kiyoshi; Yagi, Hiromasa; Lim, Siew; Wen, Daying; Ekonomiuk, Dariusz; Huang, Danzhi; Keller, Thomas; Sonntag, Sebastian; Caflisch, Amedeo; Vasudevan, Subhash; Otting, Gottfried. "NMR study of complexes between low molecular mass inhibitors and the West Nile virus NS2B-NS3 protease" FEBS J. 276, 4244-4255 (2009).
PubMed: 19583774

Assembly members:

Assembly members:
the West Nile virus NS2B(K96A)-NS3 protease, polymer, 243 residues, Formula weight is not available
2,5-methylenisothiourea-PXY, non-polymer, 284.444 Da.

Natural source:

Natural source: Common Name: West Nile virus Taxonomy ID: 11082 Superkingdom: not available Kingdom: not available Genus/species: Flavivirus West Nile virus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
the West Nile virus NS2B(K96A)-NS3 protease: TDMWIERTADITWESDAEIT GSSERVDVRLDDDGNFQLMN DPGAPWAGGGGSGGGGGGVL WDTPSPKEYKKGDTTTGVYR IMTRGLLGSYQAGAGVMVEG VFHTLWHTTKGAALMSGEGR LDPYWGSVKEDRLCYGGPWK LQHKWNGHDEVQMIVVEPGK NVKNVQTKPGVFKTPEGEIG AVTLDYPTGTSGSPIVDKNG DVIGLYGNGVIMPNGSYISA IVQGERMEEPAPAGFEPEML RKK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	543
15N chemical shifts	197
1H chemical shifts	1223

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	the West Nile virus NS2B(K96A)-NS3 protease	1
2	2,5-methylenisothiourea-PXY	2

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D CC(CO)NH	sample_1	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 13C-HMQC-NOESY	sample_1	isotropic	sample_conditions_1

PDB	2FP7 2YOL
EMBL	CAS03096
GB	ADX89821 ADX89822 ADX89823 ADX89824 ADX89825
REF	NP_776018 YP_001527884

BMRB Entry 11053

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

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