BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 30491

Title: NMR solution structure of the CARD9 CARD bound to zinc   PubMed: 30206119

Deposition date: 2018-07-10 Original release date: 2018-09-10

Authors: Holliday, M.; Dueber, E.; Fairbrother, W.

Citation: Holliday, Michael; Ferrao, Ryan; de Leon Boenig, Gladys; Estevez, Alberto; Helgason, Elizabeth; Rohou, Alexis; Dueber, Erin; Fairbrother, Wayne. "Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9."  J. Biol. Chem. 293, 16803-16817 (2018).

Assembly members:
entity_1, polymer, 97 residues, 11264.877 Da.
entity_ZN, non-polymer, 65.409 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 BL21(DE3)

Entity Sequences (FASTA):
entity_1: MSDYENDDECWSVLEGFRVT LTSVIDPSRITPYLRQCKVL NPDDEEQVLSDPNLVIRKRK VGVLLDILQRTGHKGYVAFL ESLELYYPQLYKKVTGK

Data typeCount
13C chemical shifts355
15N chemical shifts95
1H chemical shifts711

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 97 residues - 11264.877 Da.

1   METSERASPTYRGLUASNASPASPGLUCYS
2   TRPSERVALLEUGLUGLYPHEARGVALTHR
3   LEUTHRSERVALILEASPPROSERARGILE
4   THRPROTYRLEUARGGLNCYSLYSVALLEU
5   ASNPROASPASPGLUGLUGLNVALLEUSER
6   ASPPROASNLEUVALILEARGLYSARGLYS
7   VALGLYVALLEULEUASPILELEUGLNARG
8   THRGLYHISLYSGLYTYRVALALAPHELEU
9   GLUSERLEUGLULEUTYRTYRPROGLNLEU
10   TYRLYSLYSVALTHRGLYLYS

Entity 2, entity_2 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: CARD9 CARD, [U-13C; U-15N], 0.40 mM; zinc, none, 0.46 mM

sample_2: CARD9 CARD, [U-10% 13C; U-100% 15N], 0.40 mM; zinc, none, 0.46 mM

sample_3: CARD9 CARD, [U-13C; U-15N], 0.40 mM; zinc, none, 0.46 mM

sample_conditions_1: ionic strength: 350 mM; pH: 7.0; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_3isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_3isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1

Software:

CNS v1.2, Brunger A. T. et.al. - refinement

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

Analysis v2.4.2, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AvanceIII 800 MHz

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