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BMRB Entry 17971

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17971
MolProbity Validation Chart

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Title: Solution NMR structure of homeobox domain (171-248) of human homeobox protein TGIF1, Northeast Structural Genomics Consortium Target HR4411B

Deposition date: 2011-09-30 Original release date: 2011-10-28

Authors: Yang, Yunhuang; Ramelot, Theresa; Cort, John; Shastry, Ritu; Ciccosanti, Colleen; Hamilton, Keith; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Kennedy, Michael

Citation: Yang, Yunhuang; Ramelot, Theresa; Cort, John; Shastry, Ritu; Ciccosanti, Colleen; Hamilton, Keith; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Kennedy, Michael. "Solution NMR structure of homeobox domain (171-248) of human homeobox protein TGIF1, Northeast Structural Genomics Consortium Target HR4411B."  Not known ., .-..

Assembly members:
TGIF1, polymer, 89 residues, 10666.1 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):
TGIF1: MGHHHHHHSHMLPKESVQIL RDWLYEHRYNAYPSEQEKAL LSQQTHLSTLQVCNWFINAR RRLLPDMLRKDGKDPNQFTI SRRGAKISE

Data sets:
Data typeCount
13C chemical shifts380
15N chemical shifts98
1H chemical shifts604

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1TGIF11

Entities:

Entity 1, TGIF1 89 residues - 10666.1 Da.

1   METGLYHISHISHISHISHISHISSERHIS
2   METLEUPROLYSGLUSERVALGLNILELEU
3   ARGASPTRPLEUTYRGLUHISARGTYRASN
4   ALATYRPROSERGLUGLNGLULYSALALEU
5   LEUSERGLNGLNTHRHISLEUSERTHRLEU
6   GLNVALCYSASNTRPPHEILEASNALAARG
7   ARGARGLEULEUPROASPMETLEUARGLYS
8   ASPGLYLYSASPPROASNGLNPHETHRILE
9   SERARGARGGLYALALYSILESERGLU

Samples:

NC_sample: TGIF1, [U-100% 13C; U-100% 15N], 0.41 ± 0.04 mM; ammonium acetate 20 ± 1 mM; sodium chloride 100 ± 5 mM; sodium azide 0.02 ± 0.001 %; DTT 10 ± 0.5 mM; calcium chloride 5 ± 0.25 mM; H2O 90%; D2O 10%

NC5_sample: TGIF1, [U-5% 13C; U-100% 15N], 0.36 ± 0.04 mM; ammonium acetate 20 ± 1 mM; sodium chloride 100 ± 5 mM; DTT 10 ± 0.5 mM; sodium azide 0.02 ± 0.001 %; calcium chloride 5 ± 0.25 mM; H2O 90%; D2O 10%

NC_sample_in_D2O: TGIF1, [U-100% 13C; U-100% 15N], 0.41 ± 0.04 mM; ammonium acetate 20 ± 1 mM; sodium chloride 100 ± 5 mM; sodium azide 0.02 ± 0.001 %; DTT 10 ± 0.5 mM; calcium chloride 5 ± 0.25 mM; D2O 100%

sample_conditions_1: ionic strength: 0.2 M; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCNC_sampleisotropicsample_conditions_1
2D 1H-13C HSQC aliphaticNC_sampleisotropicsample_conditions_1
2D 1H-13C HSQC-aromaticNC_sampleisotropicsample_conditions_1
2D 1H-15N HSQCNC_sample_in_D2Oisotropicsample_conditions_1
2D 1H-13C HSQCNC_sample_in_D2Oisotropicsample_conditions_1
2D 1H-13C HSQC-CTNC5_sampleisotropicsample_conditions_1
3D 1H-15N NOESYNC5_sampleisotropicsample_conditions_1
3D 1H-13C NOESY_aliphNC_sampleisotropicsample_conditions_1
3D HNCONC_sampleisotropicsample_conditions_1
3D HNCACBNC_sampleisotropicsample_conditions_1
3D CBCA(CO)NHNC_sampleisotropicsample_conditions_1
3D HNCANC_sampleisotropicsample_conditions_1
3D HN(CO)CANC_sampleisotropicsample_conditions_1
3D HBHA(CO)NHNC_sampleisotropicsample_conditions_1
3D H(CCO)NHNC_sampleisotropicsample_conditions_1
3D C(CCO)NHNC_sampleisotropicsample_conditions_1
3D HCCH-COSYNC_sampleisotropicsample_conditions_1
3D HCCH-TOCSYNC_sampleisotropicsample_conditions_1
3D CC-TOCSYNC_sample_in_D2Oisotropicsample_conditions_1
4D CC-NOESYNC_sample_in_D2Oisotropicsample_conditions_1
3D 1H-15N NOESY_NUSNC_sampleisotropicsample_conditions_1
2D 1H-15N HSQCNC_sample_in_D2Oisotropicsample_conditions_1
2D 1H-15N HSQCNC_sample_in_D2Oisotropicsample_conditions_1

Software:

NMRPipe v2008, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

VNMR v6.1C, Varian - collection

TOPSPIN v2.1.4, Bruker Biospin - collection

ASDP v1.0, Huang, Tejero, Powers and Montelione - data analysis

X-PLOR NIH v2.25, Schwieters, Kuszewski, Tjandra and Clore - structure solution

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

SPARKY v3.113, Goddard - data analysis

PSVS v1.4, Bhattacharya and Montelione - refinement

AutoAssign v2.30, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment, chemical shift assignment

PDBStat v5.4, (PdbStat)-Roberto Tejero and Gaetano T. Montelione - structure solution

PINE v1.0, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift autoassignment

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

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Bruker Avance III 850 MHz

Related Database Links:

PDB
DBJ BAE35685 BAE90340 BAF83801 BAI45661
EMBL CAA61896 CAA61897 CAG29329
GB AAF81643 AAH00814 AAH05724 AAH12700 AAH31268
REF NP_001009815 NP_001015020 NP_001157546 NP_001157547 NP_001157548
SP P70284 Q15583 Q5IS58

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