BMRB Entry 30774

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PDB ID: 7jgi
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR30774
MolProbity Validation Chart

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Title:
NMR structure of the cNTnC-cTnI chimera bound to calcium desensitizer W7
Deposition date:
2020-07-19
Original release date:
2020-08-31
Authors:
Cai, F.; Robertson, I.; Kampourakis, T.; Klein, B.; Sykes, B.
Citation:

Citation: Cai, F.; Robertson, I.; Kampourakis, T.; Klein, B.; Sykes, B.. "The Role of Electrostatics in the Mechanism of Cardiac Thin Filament Based Sensitizers."  Acs Chem. Biol. 15, 2289-2298 (2020).
PubMed: 32633482

Assembly members:

Assembly members:
entity_1, polymer, 125 residues, 14186.127 Da.
entity_CA, non-polymer, 40.078 Da.
entity_V8Y, non-polymer, 369.863 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: MDDIYKAAVEQLTEEQKNEF KAAFDIFVLGAEDGSISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRSMKDDSKGKFKRPTLRR VRISADAMMQALLGARAKGH HHHHH

Data sets:
Data typeCount
13C chemical shifts505
15N chemical shifts114
1H chemical shifts799

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11
2unit_22
3unit_33

Entities:

Entity 1, unit_1 125 residues - 14186.127 Da.

1   METASPASPILETYRLYSALAALAVALGLU
2   GLNLEUTHRGLUGLUGLNLYSASNGLUPHE
3   LYSALAALAPHEASPILEPHEVALLEUGLY
4   ALAGLUASPGLYSERILESERTHRLYSGLU
5   LEUGLYLYSVALMETARGMETLEUGLYGLN
6   ASNPROTHRPROGLUGLULEUGLNGLUMET
7   ILEASPGLUVALASPGLUASPGLYSERGLY
8   THRVALASPPHEASPGLUPHELEUVALMET
9   METVALARGSERMETLYSASPASPSERLYS
10   GLYLYSPHELYSARGPROTHRLEUARGARG
11   VALARGILESERALAASPALAMETMETGLN
12   ALALEULEUGLYALAARGALALYSGLYHIS
13   HISHISHISHISHIS

Entity 2, unit_2 - Ca - 40.078 Da.

1   CA

Entity 3, unit_3 - C17 H20 Cl N O4 S - 369.863 Da.

1   V8Y

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