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 25827

Title: Backbone 1H, 13C, and 15N chemical shift assignments for metal-binding domain 1 of ATP7B

Deposition date: 2015-09-27 Original release date: 2016-03-28

Authors: Yu, Corey; Lee, Woonghee; Dmitriev, Oleg

Citation: Yu, Corey; Lee, Woonghee; Dmitriev, Oleg; Yu, Corey; Lee, Woonghee; Dmitriev, Oleg. "Metal-binding domain 1 of ATP7B"  Not known ., .-..

Assembly members:
entity, polymer, 76 residues, 8122.508 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: AGHMQVATSTVRILGMTCQS CVKSIEDRISNLKGIISMKV SLEQGSATVKYVPSVVCLQQ VCHQIGDMGFEASIAE

Data sets:
Data typeCount
13C chemical shifts293
15N chemical shifts72
1H chemical shifts427

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 76 residues - 8122.508 Da.

1   ALAGLYHISMETGLNVALALATHRSERTHR
2   VALARGILELEUGLYMETTHRCYSGLNSER
3   CYSVALLYSSERILEGLUASPARGILESER
4   ASNLEULYSGLYILEILESERMETLYSVAL
5   SERLEUGLUGLNGLYSERALATHRVALLYS
6   TYRVALPROSERVALVALCYSLEUGLNGLN
7   VALCYSHISGLNILEGLYASPMETGLYPHE
8   GLUALASERILEALAGLU

Samples:

sample_1: entity, [U-13C; U-15N], 0.5 mM; HEPES 50 mM; DSS 0.5 mM; TCEP 5 mM; D2O 10%

sample_conditions_1: ionic strength: 50 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

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

CARA, Keller and Wuthrich - chemical shift assignment

PONDEROSA_C-S, PONDEROSA C/S (Woonghee Lee, Markley) - peak picking, refinement, structure solution

NMR spectrometers:

  • Bruker Avance 750 MHz

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