BMRB Entry 34528

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PDB ID: 6zpr
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34528
MolProbity Validation Chart

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Title:
Solution structure of MLKL executioner domain in complex with a covalent inhibitor
Deposition date:
2020-07-09
Original release date:
2020-12-14
Authors:
Ruebbelke, M.; Bauer, M.; Hamilton, J.; Binder, F.; Nar, H.; Zeeb, M.
Citation:

Citation: Ruebbelke, M.; Dennis, F.; Bauer, M.; Binder, F.; Hamilton, J.; King, J.; Thamm, S.; Nar, H.; Zeeb, M.. "Locking mixed-lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis"  Proc. Natl. Acad. Sci. U.S.A. 117, 33272-33281 (2020).
PubMed: 33318170

Assembly members:

Assembly members:
entity_1, polymer, 157 residues, 18184.961 Da.
entity_QOK, non-polymer, 268.269 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSPGENLKHIITLGQVIHKR CEEMKYCKKQCRRLGHRVLG LIKPLEMLQDQGKRSVPSEK LTTAMNRFKAALEEANGEIE KFSNRSNICRFLTASQDKIL FKDVNRKLSDVWKELSLLLQ VEQRMPVSPISQGASWAQED QQDADEDRRAFQMLRRD

Data typeCount
13C chemical shifts532
15N chemical shifts163
1H chemical shifts1112

Additional metadata:

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Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11
2unit_22

Entities:

Entity 1, unit_1 157 residues - 18184.961 Da.

1   GLYSERPROGLYGLUASNLEULYSHISILE
2   ILETHRLEUGLYGLNVALILEHISLYSARG
3   CYSGLUGLUMETLYSTYRCYSLYSLYSGLN
4   CYSARGARGLEUGLYHISARGVALLEUGLY
5   LEUILELYSPROLEUGLUMETLEUGLNASP
6   GLNGLYLYSARGSERVALPROSERGLULYS
7   LEUTHRTHRALAMETASNARGPHELYSALA
8   ALALEUGLUGLUALAASNGLYGLUILEGLU
9   LYSPHESERASNARGSERASNILECYSARG
10   PHELEUTHRALASERGLNASPLYSILELEU
11   PHELYSASPVALASNARGLYSLEUSERASP
12   VALTRPLYSGLULEUSERLEULEULEUGLN
13   VALGLUGLNARGMETPROVALSERPROILE
14   SERGLNGLYALASERTRPALAGLNGLUASP
15   GLNGLNASPALAASPGLUASPARGARGALA
16   PHEGLNMETLEUARGARGASP

Entity 2, unit_2 - C11 H16 N4 O4 - 268.269 Da.

1   QOK

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