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Biological Magnetic Resonance Data Bank


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BMRB Entry 25757

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25757
MolProbity Validation Chart

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Title: NMR structure of a human calmodulin / rat connexion-36 peptide hybrid   PubMed: 27917108

Deposition date: 2015-08-14 Original release date: 2015-08-21

Authors: Donaldson, Logan

Citation: Siu, Ryan; Smirnova, Ekaterina; Brown, Cherie; Zoidl, Christiane; Spray, David; Donaldson, Logan; Zoidl, Georg. "Structural and Functional Consequences of Connexin 36 (Cx36) Interaction with Calmodulin"  Front. Mol. Neurosci. 9, 120-120 (2016).

Assembly members:
entity_1, polymer, 173 residues, 18006.084 Da.
entity_CA, non-polymer, 40.078 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: HHHHHHTEEQIAEFKEAFSL FDKDGDGTITTKELGTVMRS LGQNPTEAELQDMINEVDAD GNGTIDFPEFLTMMARKMKD TDSEEEIREAFRVFDKDGNG YISAAELRHVMTNLGEKLTD EEVDEMIREADIDGDGQVNY EEFVQMMTGASTAAGSGWRK IKLAVRGAQAKRK

Data sets:
Data typeCount
13C chemical shifts596
15N chemical shifts152
1H chemical shifts827

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11
2CALCIUM ION, 12
3CALCIUM ION, 22
4CALCIUM ION, 32
5CALCIUM ION, 42

Entities:

Entity 1, entity_1 173 residues - 18006.084 Da.

numbering made to be consistent with other calmodulin structures

1   HISHISHISHISHISHISTHRGLUGLUGLN
2   ILEALAGLUPHELYSGLUALAPHESERLEU
3   PHEASPLYSASPGLYASPGLYTHRILETHR
4   THRLYSGLULEUGLYTHRVALMETARGSER
5   LEUGLYGLNASNPROTHRGLUALAGLULEU
6   GLNASPMETILEASNGLUVALASPALAASP
7   GLYASNGLYTHRILEASPPHEPROGLUPHE
8   LEUTHRMETMETALAARGLYSMETLYSASP
9   THRASPSERGLUGLUGLUILEARGGLUALA
10   PHEARGVALPHEASPLYSASPGLYASNGLY
11   TYRILESERALAALAGLULEUARGHISVAL
12   METTHRASNLEUGLYGLULYSLEUTHRASP
13   GLUGLUVALASPGLUMETILEARGGLUALA
14   ASPILEASPGLYASPGLYGLNVALASNTYR
15   GLUGLUPHEVALGLNMETMETTHRGLYALA
16   SERTHRALAALAGLYSERGLYTRPARGLYS
17   ILELYSLEUALAVALARGGLYALAGLNALA
18   LYSARGLYS

Entity 2, CALCIUM ION, 1 - Ca - 40.078 Da.

1   CA

Samples:

sample_1: entity_1, [U-99% 13C; U-99% 15N], 2.0 mM; sodium azide 0.05 % w/v; sodium chloride 25 mM; Tris 5 mM

sample_conditions_1: ionic strength: 0.25 M; pH: 7.4; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1

Software:

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

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

  • Bruker Avance 700 MHz

Related Database Links:

PDB
UNP O70610

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