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 19288

Title: Solution NMR Structure of E3 ubiquitin-protein ligase ZFP91 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7784A

Deposition date: 2013-06-05 Original release date: 2013-07-22

Authors: Pederson, Kari; Shastry, Ritu; Kohan, Eitan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Prestegard, James

Citation: Pederson, Kari; Montelione, Gaetano; Prestegard, James; Shastry, Ritu; Kohan, Eitan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John. "Solution Structure of Hr7784A"  .

Assembly members:
HR7784A, polymer, 98 residues, 10396.114 Da.
ZINC ION, 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   Vector: pET15_NESG

Entity Sequences (FASTA):
HR7784A: MGHHHHHHSHMRDYICEYCA RAFKSSHNLAVHRMIHTGEK PLQCEICGFTCRQKASLNWH MKKHDADSFYQFSCNICGKK FEKKDSVVAHKAKSHPEV

Data sets:
Data typeCount
13C chemical shifts369
15N chemical shifts90
1H chemical shifts591
residual dipolar couplings157

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1HR7784A1
2Zn_12
3Zn_22
4Zn_32

Entities:

Entity 1, HR7784A 98 residues - 10396.114 Da.

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

1   METGLYHISHISHISHISHISHISSERHIS
2   METARGASPTYRILECYSGLUTYRCYSALA
3   ARGALAPHELYSSERSERHISASNLEUALA
4   VALHISARGMETILEHISTHRGLYGLULYS
5   PROLEUGLNCYSGLUILECYSGLYPHETHR
6   CYSARGGLNLYSALASERLEUASNTRPHIS
7   METLYSLYSHISASPALAASPSERPHETYR
8   GLNPHESERCYSASNILECYSGLYLYSLYS
9   PHEGLULYSLYSASPSERVALVALALAHIS
10   LYSALALYSSERHISPROGLUVAL

Entity 2, Zn_1 - 65.409 Da.

1   ZN

Samples:

NC_sample: HR7784A, [U-100% 13C; U-100% 15N], 1.17 mM; MES 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; DTT 10 mM; sodium azide 0.02%; DSS 50 uM; H2O 95%; D20 5%

C12E5: HR7784A, [U-100% 15N], 0.66 mM; MES 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; DTT 10 mM; C12E5 4.2%; sodium azide 0.02%; DSS 50 uM; H2O 95%; D20 5%

Polyacrylamide_Gel: HR7784A, [U-100% 13C; U-100% 15N], 0.66 mM; MES 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; DTT 10 mM; sodium azide 0.02%; DSS 50 uM; positively charged polyacrylamide gel 5%; H2O 95%; D20 5%

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCNC_sampleisotropicsample_conditions_1
2D 1H-13C HSQC aromaticNC_sampleisotropicsample_conditions_1
3D CBCA(CO)NHNC_sampleisotropicsample_conditions_1
3D HNCACBNC_sampleisotropicsample_conditions_1
3D HNCONC_sampleisotropicsample_conditions_1
3D H(CCO)NHNC_sampleisotropicsample_conditions_1
3D HCCH-TOCSYNC_sampleisotropicsample_conditions_1
3D 1H-15N NOESYNC_sampleisotropicsample_conditions_1
3D 1H-13C NOESY aliphaticNC_sampleisotropicsample_conditions_1
3D 1H-13C NOESY aromaticNC_sampleisotropicsample_conditions_1
2D CB(CGCD)HDNC_sampleisotropicsample_conditions_1
2D CB(CGCDCE)HENC_sampleisotropicsample_conditions_1
2D 1H-15N J-modulation HSQCC12E5anisotropicsample_conditions_1
2D 1H-15N J-modulation HSQCPolyacrylamide_Gelanisotropicsample_conditions_1
2D 1H-15N J-modulation HSQCNC_sampleisotropicsample_conditions_1

Software:

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

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

SPARKY v3.113, Goddard - chemical shift assignment, peak picking

X-PLOR NIH v2.28, Schwieters, Kuszewski, Tjandra and Clore - refinement

PSVS v1.4, Bhattacharya and Montelione - data analysis

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

PDB
DBJ BAC26394 BAC40660 BAG58548
GB KFQ07199
REF XP_008587874 XP_010166167

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