BMRB Entry 19306
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PDB ID: 2m9q
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19306
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Title: NMR structure of an inhibitor bound dengue NS3 protease
Deposition date: 2013-06-18 Original release date: 2014-07-07
Authors: Gibbs, Al; Steele, Ruth; Tounge, Brett
Citation: Gibbs, Al; Steele, Ruth; Tounge, Brett. "NMR structure of an inhibitor bound dengue NS3 protease provides new insights into the NS2B NS3 ligand interactions" Not known ., .-..
Assembly members:
entity_1, polymer, 244 residues, 25785.062 Da.
ketobenzene, polymer, . residues, 120.154 Da.
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_1: GSAADLELERAADVKWEDQA
EISGSSPILSITISEDGSMS
IKNEEEEQTLGGGGSGGGGE
FAGVLWDVPSPPPVGKAELE
DGAYRIKQKGILGYSQIGAG
VYKEGTFHTMWHVTRGAVLM
HKGKRIEPSWADVKKDLISY
GGGWKLEGEWKEGEEVQVLA
LEPGKNPRAVQTKPGLFKTN
AGTIGAVSLDFSPGTSGSPI
IDKKGKVVGLYGNGVVTRSG
AYVSAIAQTEKSIEDNPEIE
XKRX
ketobenzene: XXKRX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 712 |
| 15N chemical shifts | 217 |
| 1H chemical shifts | 537 |
Additional metadata:
Related Database Links:
| BMRB | 18266 19080 19305 |
| PDB | 2FOM 2M9P 2M9Q 4M9K 4M9M |
| EMBL | CAA40704 |
| GB | AIC36825 AIE47697 AIE47698 AIE47699 AIE47700 |
| REF | NP_739587 |
| SP | P27914 |
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