BMRB Entry 34603

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PDB ID: 7nm2
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34603
MolProbity Validation Chart

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Title:
Solution structure of MLKL executioner domain in complex with a fragment
Deposition date:
2021-02-23
Original release date:
2021-09-17
Authors:
Ruebbelke, M.; Bauer, M.; Hamilton, J.; Binder, F.; Nar, H.; Zeeb, M.
Citation:

Citation: Ruebbelke, M.; Hamilton, J.; Binder, F.; Bauer, M.; King, J.; Nar, H.; Zeeb, M.. "Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain"  J. Med. Chem. 64, 15629-15638 (2021).
PubMed: 34672548

Assembly members:

Assembly members:
entity_1, polymer, 157 residues, 18184.961 Da.
entity_UJ5, non-polymer, 324.374 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 sets:
Data typeCount
13C chemical shifts510
15N chemical shifts158
1H chemical shifts1062

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 - C19 H20 N2 O3 - 324.374 Da.

1   UJ5

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