BMRB Entry 17484

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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/BMR17484
MolProbity Validation Chart

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Title:
Solution NMR Structure of Homeobox domain of Homeobox protein Nkx-3.1 from homo sapiens, Northeast Structural Genomics Consortium Target HR6470A
Deposition date:
2011-02-22
Original release date:
2012-06-05
Authors:
Liu, Gaohua; Xiao, Rong; Lee, Hsiau-Wei; Hamilton, Keith; Ciccosanti, Collen; Wang, Huang; Acton, Thomas; Everett, John; Huang, Yuanpeng; Montelione, Gaetano
Citation:

Citation: Liu, Gaohua; Xiao, Rong; Hamilton, Keith; Ciccosanti, Collen; Wang, Huang; Acton, Thomas; Everett, John; Huang, Yuanpeng; Montelione, Gaetano. "Solution NMR Structure of Homeobox domain of Homeobox protein Nkx-3.1 from homo sapiens, Northeast Structural Genomics Consortium Target HR6470A"  To be published ., .-..

Assembly members:

Assembly members:
HR6470A, polymer, 69 residues, 8370.702 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   Vector: pET 14-15C

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HR6470A: MGHHHHHHSHMSHTQVIELE RKFSHQKYLSAPERAHLAKN LKLTETQVKIWFQNRRYKTK RKQLSSELG

Data sets:
Data typeCount
1H chemical shifts456
13C chemical shifts285
15N chemical shifts65

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1HR6470A1

Entities:

Entity 1, HR6470A 69 residues - 8370.702 Da.

1   METGLYHISHISHISHISHISHISSERHIS
2   METSERHISTHRGLNVALILEGLULEUGLU
3   ARGLYSPHESERHISGLNLYSTYRLEUSER
4   ALAPROGLUARGALAHISLEUALALYSASN
5   LEULYSLEUTHRGLUTHRGLNVALLYSILE
6   TRPPHEGLNASNARGARGTYRLYSTHRLYS
7   ARGLYSGLNLEUSERSERGLULEUGLY

Samples:

sample_NC: HR6470A, [U-100% 13C; U-100% 15N], 0.69 mM; NaN3 0.02%; DTT 10 mM; CaCl2 5 mM; MES 20 mM; NaCl 100 mM; DSS 50 uM; H2O 90%; D2O 10%

sample_NC5: HR6470A, [U-5% 13C; U-100% 15N], 0.65 mM; NaN3 0.02%; DTT 10 mM; CaCl2 5 mM; MES 20 mM; NaCl 100 mM; DSS 50 uM; H2O 90%; D2O 10%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_NCisotropicsample_conditions_1
2D 1H-13C HSQCsample_NC5isotropicsample_conditions_1
3D HNCOsample_NCisotropicsample_conditions_1
3D CBCA(CO)NHsample_NCisotropicsample_conditions_1
3D HNCACBsample_NCisotropicsample_conditions_1
3D 1H-13C arom NOESYsample_NCisotropicsample_conditions_1
3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESYsample_NCisotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - geometry optimization, refinement, structure solution

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - geometry optimization, refinement, structure solution

AutoStruct v2.1, Huang, Tejero, Powers and Montelione - data analysis, refinement

AutoAssign v2.1, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment, data analysis

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

XEASY, Bartels et al. - chemical shift assignment, data analysis, peak picking

TOPSPIN, Bruker Biospin - collection

VNMRJ, Varian - collection

TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Varian INOVA 600 MHz

Related Database Links:

PDB
GB EHH64050 KFO38111
REF XP_012928836

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks