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 16250

Title: NMR solution structure of the EH 1 domain from human intersectin-1 protein. Northeast Structural Genomics Consortium target HR3646e.

Authors: Mills, Jeffrey; Ghosh, Arindam; Garcia, Erwin; Zhang, Qi; Shastry, Ritu; Foote, Erica; Janjua, Haleema; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Szyperski, Thomas

Citation: Mills, Jeffrey; Ghosh, Arindam; Garcia, Erwin; Zhang, Qi; Shastry, Ritu; Foote, Erica; Janjua, Haleema; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Szyperski, Thomas. "NMR solution structure of the EH 1 domain from human intersectin-1 protein. Northeast Structural Genomics Consortium target HR3646e."  Not known ., .-..

Assembly members:
HR3646E, polymer, 121 residues, 13614.668 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):
HR3646E: MGHHHHHHSHMAQFPTPFGG SLDTWAITVEERAKHDQQFH SLKPISGFITGDQARNFFFQ SGLPQPVLAQIWALADMNND GRMDQVEFSIAMKLIKLKLQ GYQLPSALPPVMKQQPVAIS S

Data sets:
Data typeCount
13C chemical shifts352
15N chemical shifts112
1H chemical shifts741

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1HR3646E1

Entities:

Entity 1, HR3646E 121 residues - 13614.668 Da.

1   METGLYHISHISHISHISHISHISSERHIS
2   METALAGLNPHEPROTHRPROPHEGLYGLY
3   SERLEUASPTHRTRPALAILETHRVALGLU
4   GLUARGALALYSHISASPGLNGLNPHEHIS
5   SERLEULYSPROILESERGLYPHEILETHR
6   GLYASPGLNALAARGASNPHEPHEPHEGLN
7   SERGLYLEUPROGLNPROVALLEUALAGLN
8   ILETRPALALEUALAASPMETASNASNASP
9   GLYARGMETASPGLNVALGLUPHESERILE
10   ALAMETLYSLEUILELYSLEULYSLEUGLN
11   GLYTYRGLNLEUPROSERALALEUPROPRO
12   VALMETLYSGLNGLNPROVALALAILESER
13   SER

Samples:

NC: HR3646E, [U-98% 13C; U-98% 15N], 0.87 mM; MES 20 mM; sodium chloride 200 mM; calcium chloride 5 mM; DTT 10 mM; sodium azide 0.02%; H20 90%; D20 10%

NC5: HR3646E, [U-5% 13C; U-98% 15N], 0.81 mM; MES 20 mM; sodium chloride 200 mM; calcium chloride 5 mM; DTT 10 mM; sodium azide 0.02%; H20 90%; D20 10%

sample_conditions_1: ionic strength: 430 mM; pH: 6.5; pressure: 1.0 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCNCisotropicsample_conditions_1
3D sim. 15N,13C NOESYNCisotropicsample_conditions_1
2D 1H-13C HSQCNCisotropicsample_conditions_1
2D 1H-13C HSQCNC5isotropicsample_conditions_1
3D HNCONCisotropicsample_conditions_1
GFT (4,3)D HNCABCANCisotropicsample_conditions_1
GFT (4,3)D CABCA(CO)NHNCisotropicsample_conditions_1
GFT (4,3)D arom. HCCHNCisotropicsample_conditions_1
GFT (4,3)D aliph. HCCHNCisotropicsample_conditions_1
GFT (4,3)D HABCAB(CO)NHNCisotropicsample_conditions_1

Software:

VNMRJ, Varian - collection

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

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

SPSCAN, Glaser - processing

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

AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - structure solution

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment, structure solution

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

Molmol, Koradi, Billeter and Wuthrich - data analysis

PSVS, Bhattacharya and Montelione - data analysis

NMR spectrometers:

  • Varian INOVA 750 MHz
  • Varian INOVA 600 MHz

Related Database Links:

PDB
GB ABW71829
REF XP_004318550