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Biological Magnetic Resonance Data Bank


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BMRB Entry 25135

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25135
MolProbity Validation Chart

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Title: Solution structure of the MLKL N-terminal domain

Deposition date: 2014-08-07 Original release date: 2014-09-22

Authors: Su, Lijing; Rizo, Josep; Quade, Bradley; Wang, Huayi; Sun, Liming; Wang, Xiaodong

Citation: Su, Lijing; Quade, Bradley; Wang, Huayi; Sun, Liming; Wang, Xiaodong; Rizo, Josep. "A Plug Release Mechanism for Membrane Permeation by MLKL"  Structure ., .-..

Assembly members:
entity, polymer, 166 residues, 17999.953 Da.

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

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

Entity Sequences (FASTA):
entity: GSPGISGGGGGILENLKHII TLGQVIHKRCEEMKYCKKQC RRLGHRVLGLIKPLEMLQDQ GKRSVPSEKLTTAMNRFKAA LEEANGEIEKFSNRSNICRF LTASQDKILFKDVNRKLSDV WKELSLLLQVEQRMPVSPIS QGASWAQEDQQDADEDRRAF QMLRRD

Data sets:
Data typeCount
15N chemical shifts169
1H chemical shifts1135
13C chemical shifts690

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 166 residues - 17999.953 Da.

Residues 1-12 arise from a linker to a non-native affinity tag. Residue 13 (Leu) also comes from the tag and replaces the native Met1

1   GLYSERPROGLYILESERGLYGLYGLYGLY
2   GLYILELEUGLUASNLEULYSHISILEILE
3   THRLEUGLYGLNVALILEHISLYSARGCYS
4   GLUGLUMETLYSTYRCYSLYSLYSGLNCYS
5   ARGARGLEUGLYHISARGVALLEUGLYLEU
6   ILELYSPROLEUGLUMETLEUGLNASPGLN
7   GLYLYSARGSERVALPROSERGLULYSLEU
8   THRTHRALAMETASNARGPHELYSALAALA
9   LEUGLUGLUALAASNGLYGLUILEGLULYS
10   PHESERASNARGSERASNILECYSARGPHE
11   LEUTHRALASERGLNASPLYSILELEUPHE
12   LYSASPVALASNARGLYSLEUSERASPVAL
13   TRPLYSGLULEUSERLEULEULEUGLNVAL
14   GLUGLNARGMETPROVALSERPROILESER
15   GLNGLYALASERTRPALAGLNGLUASPGLN
16   GLNASPALAASPGLUASPARGARGALAPHE
17   GLNMETLEUARGARGASP

Samples:

sample_1: entity, [U-99% 13C; U-99% 15N], 1.5 ± 0.1 mM; HEPES 20 ± 1 mM; sodium chloride 100 ± 5 mM; TCEP 2 ± .1 mM; H2O 95%; D2O 5%

sample_2: entity, [U-99% 15N], 1.5 ± 0.1 mM; HEPES 20 ± 1 mM; sodium chloride 100 ± 5 mM; TCEP 2 ± .1 mM; D2O 100%

sample_conditions_1: temperature: 298 K; pH: 7.0; pressure: 1 atm; ionic strength: 0.12 M

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
HbCbCgCdHdsample_1isotropicsample_conditions_1
HbCbCgCdCeHesample_1isotropicsample_conditions_1
2D DQF-COSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1

Software:

VNMRJ, Varian - collection

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

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz

Related Database Links:

NCBI NP_689862.1
PDB
DBJ BAC03728 BAI46196
EMBL CAI46144
GB AAH28141 AAX41010 AIC53362 EAW95679
REF NP_001135969 NP_689862 XP_005255891 XP_008953137 XP_008953138
SP Q8NB16

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts