BMRB Entry 30614

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30614
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
CS-Rosetta Model of PEA-15 Death Effector Domain in the Complex with ERK2
Deposition date:
2019-06-03
Original release date:
2019-07-19
Authors:
Wei, Y.; Crespo Flores, S.; Cabezas, A.; Hassan, S.
Citation:

Citation: Crespo Flores, S.; Cabezas, A.; Hassan, S.; Wei, Y.. "PEA-15 C-Terminal Tail Allosterically Modulates Death-Effector Domain Conformation and Facilitates Protein-Protein Interactions"  Int. J. Mol. Sci. 20, 3335-3335 (2019).
PubMed: 31284641

Assembly members:

Assembly members:
entity_1, polymer, 130 residues, 15061.084 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 BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MAEYGTLLQDLTNNITLEDL EQLKSACKEDIPSEKSEEIT TGSAWFSFLESHNKLDKDNL SYIEHIFEISRRPDLLTMVV DYRTRVLKISEEDELDTKLT RIPSAKKYKDIIRQPSEEEI IKLAPPPKKA

Data sets:
Data typeCount
13C chemical shifts235
15N chemical shifts115
1H chemical shifts115

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 130 residues - 15061.084 Da.

1   METALAGLUTYRGLYTHRLEULEUGLNASP
2   LEUTHRASNASNILETHRLEUGLUASPLEU
3   GLUGLNLEULYSSERALACYSLYSGLUASP
4   ILEPROSERGLULYSSERGLUGLUILETHR
5   THRGLYSERALATRPPHESERPHELEUGLU
6   SERHISASNLYSLEUASPLYSASPASNLEU
7   SERTYRILEGLUHISILEPHEGLUILESER
8   ARGARGPROASPLEULEUTHRMETVALVAL
9   ASPTYRARGTHRARGVALLEULYSILESER
10   GLUGLUASPGLULEUASPTHRLYSLEUTHR
11   ARGILEPROSERALALYSLYSTYRLYSASP
12   ILEILEARGGLNPROSERGLUGLUGLUILE
13   ILELYSLEUALAPROPROPROLYSLYSALA

Samples:

sample_1: entity_1 mM; sodium phosphate 10 mM; sodium chloride 150 mM; DTT 0.1 mM; sodium azide 50 uM

sample_conditions_1: ionic strength: 150 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1

Software:

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

CS-ROSETTA, Shen, Vernon, Baker and Bax - refinement, structure calculation

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker Avance 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks