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 17753

Title: Solution NMR Structure of the Helix-loop-Helix Domain of Human ID3 Protein, Northeast Structural Genomics Consortium Target HR3111A

Deposition date: 2011-06-30 Original release date: 2011-08-03

Authors: Eletsky, Alexander; Wang, Dongyan; Kohan, Eitan; Janjua, Haleema; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Szyperski, Thomas

Citation: Eletsky, Alexander; Wang, Dongyan; Kohan, Eitan; Janjua, Haleema; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Szyperski, Thomas. "Solution NMR Structure of the Helix-loop-Helix Domain of Human ID3 Protein, Northeast Structural Genomics Consortium Target HR3111A"  To be published ., .-..

Assembly members:
HR3111A, polymer, 68 residues, 7639.775 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):
HR3111A: MGHHHHHHSHMGGGKGPAAE EPLSLLDDMNHCYSRLRELV PGVPRGTQLSQVEILQRVID YILDLQVV

Data sets:
Data typeCount
13C chemical shifts236
15N chemical shifts51
1H chemical shifts389

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1HR3111A, strand 11
2HR3111A, strand 21

Entities:

Entity 1, HR3111A, strand 1 68 residues - 7639.775 Da.

Residues 14-68 correspond to the range 29-83 in the native protein. Residues 1-13 represent a non-native affinity tag.

1   METGLYHISHISHISHISHISHISSERHIS
2   METGLYGLYGLYLYSGLYPROALAALAGLU
3   GLUPROLEUSERLEULEUASPASPMETASN
4   HISCYSTYRSERARGLEUARGGLULEUVAL
5   PROGLYVALPROARGGLYTHRGLNLEUSER
6   GLNVALGLUILELEUGLNARGVALILEASP
7   TYRILELEUASPLEUGLNVALVAL

Samples:

NC: HR3111A, [U-100% 13C; U-100% 15N], 0.9 mM; sodium chloride 100 mM; DTT 10 mM; TRIS 10 mM; sodium azide 0.02%; H2O 90%; D2O 10%

NC5: HR3111A, [5% 13C; U-100% 15N], 0.5 mM; sodium chloride 100 mM; DTT 10 mM; TRIS 10 mM; sodium azide 0.02%; H2O 90%; D2O 10%

sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCNCisotropicsample_conditions_1
2D 1H-13C CT-HSQC aliphaticNCisotropicsample_conditions_1
3D HNCONCisotropicsample_conditions_1
(4,3)D GFT CABCA(CO)NHNNCisotropicsample_conditions_1
(4,3)D GFT HNNCABCANCisotropicsample_conditions_1
2D 1H-13C HSQC aromaticNCisotropicsample_conditions_1
3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESYNCisotropicsample_conditions_1
3D HN(CA)CONCisotropicsample_conditions_1
3D (H)CCH-COSY aliphaticNCisotropicsample_conditions_1
3D (H)CCH-TOCSY aliphaticNCisotropicsample_conditions_1
3D HBHA(CO)NHNCisotropicsample_conditions_1
2D 1H-15N LR-HSQC for histidinesNCisotropicsample_conditions_1
1D 15N T1NCisotropicsample_conditions_1
1D 15N T2NCisotropicsample_conditions_1
2D 1H-13C CT-HSQC methylNC5isotropicsample_conditions_1

Software:

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement,structure solution,geometry optimization

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

AutoStruct v2.2.1, Huang, Tejero, Powers and Montelione - data analysis

AutoAssign v2.3.0, Zimmerman, Moseley, Kulikowski and Montelione - data analysis,chemical shift assignment

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking

XEASY v1.3.13, Bartels et al. - data analysis

PROSA v6.4, Guntert - processing

VNMRJ v2.2D, Varian - collection

TALOS+ v1.2009.0721.18, Shen, Cornilescu, Delaglio and Bax - geometry optimization

NMR spectrometers:

  • Varian INOVA 750 MHz
  • Varian INOVA 500 MHz

Related Database Links:

PDB
DBJ BAF82692 BAI46669
EMBL CAA47360 CAA48862 CAA51827 CAB70600 CAQ64597
GB AAH03107 AAP35437 AAP36573 AAX32359 AAX32360
PIR S71405
PRF 2104289A
REF NP_001003025 NP_001230531 NP_002158 XP_002716031 XP_002811352
SP Q02535 Q712G9

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