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Biological Magnetic Resonance Data Bank


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BMRB Entry 17609

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17609
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Title: Chemical shift assignment of Hr4436B from Homo Sapiens, Northeast

Deposition date: 2011-04-28 Original release date: 2011-06-01

Authors: Lee, Hsiau-Wei; Shastry, Ritu; Ciccosanti, Colleen; Janjua, Haleema; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Prestegard, James

Citation: Lee, Hsiau-Wei; Montelione, Gaetano; Prestegard, James. "Solution Structure of Hr4436B."  Not known ., .-..

Assembly members:
Hr4436B, polymer, 74 residues, 7397.479 Da.
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

Entity Sequences (FASTA):
Hr4436B: MGHHHHHHSHMTHSDKPYKC DRCQASFRYKGNLASHKTVH TGEKPYRCNICGAQFNRPAN LKTHTRIHSGEKPY

Data sets:
Data typeCount
13C chemical shifts238
15N chemical shifts67
1H chemical shifts343

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Hr4436B1
2ZINC ION_12
3ZINC ION_22

Entities:

Entity 1, Hr4436B 74 residues - 7397.479 Da.

MGHHHHHHSH are at N-terminal as part of His-Tag. It is not include in the coordinate file.

1   METGLYHISHISHISHISHISHISSERHIS
2   METTHRHISSERASPLYSPROTYRLYSCYS
3   ASPARGCYSGLNALASERPHEARGTYRLYS
4   GLYASNLEUALASERHISLYSTHRVALHIS
5   THRGLYGLULYSPROTYRARGCYSASNILE
6   CYSGLYALAGLNPHEASNARGPROALAASN
7   LEULYSTHRHISTHRARGILEHISSERGLY
8   GLULYSPROTYR

Entity 2, ZINC ION_1 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: Hr4436B, [U-100% 13C; U-100% 15N], 0.8 mM; sodium azide 2%; DTT 10 mM; ZnSO4 50 uM; DSS 50 uM; sodium chloride 100 mM; MES 20 mM; D20 5%; H2O 95%

PEG: Hr4436B, [U-100% 15N], 0.65 mM; sodium azide 2%; DTT 10 mM; ZnSO4 50 uM; DSS 50 uM; sodium chloride 100 mM; MES 20 mM; C12E5 PEG/Hexanol 4.2%; D20 5%; H2O 95%

GEL: Hr4436B, [U-100% 13C; U-100% 15N], 0.8 mM; sodium azide 2%; DTT 10 mM; ZnSO4 50 uM; DSS 50 uM; sodium chloride 100 mM; MES 20 mM; Positively Charged Stretch Polyacrylamide Gel 5%; D20 5%; H2O 95%

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; 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 C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)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
2D NH J-modulationPEGanisotropicsample_conditions_1
2D NH J-modulationGELanisotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

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

X-PLOR NIH v2.18, Schwieters, Kuszewski, Tjandra and Clore - refinement

PSVS, Bhattacharya and Montelione - data analysis

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

EMBL BCL6_HUMAN

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