BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 30273

Title: SSNMR Structure of the Human RIP1/RIP3 Necrosome

Authors: Mompean, M.; Li, W.; Li, J.; Laage, S.; Siemer, A.; Wu, H.; McDermott, A.

Citation: Mompean, M.; Li, W.; Li, J.; Laage, S.; Siemer, A.; Wu, H.; McDermott, A.. "3D Structure of the Human RIP1/RIP3 Necrosome at Atomic Resolution"  . ., .-..

Assembly members:
entity_1, polymer, 15 residues, 1577.758 Da.
entity_2, polymer, 18 residues, 2051.279 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_1: PLVNIYNCSGVQVGD
entity_2: TIYNSTGIQIGAYNYMEI

Data sets:
Data typeCount
13C chemical shifts125
15N chemical shifts28

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_1, 11
2entity_2, 12
3entity_1, 21
4entity_2, 22
5entity_1, 31
6entity_2, 32
7entity_1, 41
8entity_2, 42

Entities:

Entity 1, entity_1, 1 15 residues - 1577.758 Da.

1   PROLEUVALASNILETYRASNCYSSERGLY
2   VALGLNVALGLYASP

Entity 2, entity_2, 1 18 residues - 2051.279 Da.

1   THRILETYRASNSERTHRGLYILEGLNILE
2   GLYALATYRASNTYRMETGLUILE

Samples:

sample_1: entity_1, [U-100% 13C; U-100% 15N], 15 mg/mL; entity_2, [U-100% 13C; U-100% 15N], 15 mg/mL

sample_2: entity_1, [U-100% 13C; U-100% 15N], 15 mg/mL; entity_2, [U-100% 13C; U-100% 15N], 15 mg/mL

sample_3: entity_1, [U-100% 13C; U-100% 15N], 15 mg/mL; entity_2, [U-100% 13C; U-100% 15N], 15 mg/mL

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 278 K

Experiments:

NameSampleSample stateSample conditions
DARR 250 MSsample_1isotropicsample_conditions_1
DARR 250 MSsample_2isotropicsample_conditions_1
DARR 250 MSsample_3isotropicsample_conditions_1
CHHC 500 USsample_1isotropicsample_conditions_1
CHHC 500 USsample_3isotropicsample_conditions_1
PAR 15 MSsample_2isotropicsample_conditions_1
PAR 15 MSsample_3isotropicsample_conditions_1
PAIN 6 MSsample_2isotropicsample_conditions_1
PAIN 6 MSsample_3isotropicsample_conditions_1
TEDOR 8 MSsample_1isotropicsample_conditions_1
TEDOR 8 MSsample_2isotropicsample_conditions_1
TEDOR 8 MSsample_3isotropicsample_conditions_1
NCOCXsample_1isotropicsample_conditions_1
NCOCAsample_1isotropicsample_conditions_1
NCACXsample_1isotropicsample_conditions_1
NCAsample_1isotropicsample_conditions_1
DARR 50 MSsample_1isotropicsample_conditions_1
DARR 50 MSsample_2isotropicsample_conditions_1
DARR 50 MSsample_3isotropicsample_conditions_1
DARR 20 MSsample_1isotropicsample_conditions_1
DARR 20 MSsample_2isotropicsample_conditions_1
DARR 20 MSsample_3isotropicsample_conditions_1
DARR 100 MSsample_1isotropicsample_conditions_1
DARR 100 MSsample_2isotropicsample_conditions_1
DARR 100 MSsample_3isotropicsample_conditions_1
DARR 500 MSsample_1isotropicsample_conditions_1
DARR 500 MSsample_2isotropicsample_conditions_1
DARR 500 MSsample_3isotropicsample_conditions_1

Software:

CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure calculation

AMBER, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AvanceII 900 MHz
  • Bruker Avance 750 MHz

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