BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

BMRB Entry 18217

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18217
MolProbity Validation Chart

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Title: Backbone structure of human membrane protein HIGD1A   PubMed: 22609626

Deposition date: 2012-01-26 Original release date: 2012-05-22

Authors: Blain, Katherine; Klammt, Christian; Maslennikov, Innokentiy; Kwiatkowski, Witek; Choe, Senyon

Citation: Klammt, Christian; Maslennikov, Innokentiy; Bayrhuber, Monika; Eichmann, Cedric; Vajpai, Navratna; Chiu, Ellis Jeremy Chua; Blain, Katherine; Esquivies, Luis; Kwon, June Hyun Jung; Balana, Bartosz; Pieper, Ursula; Sali, Andrej; Slesinger, Paul; Kwiatkowski, Witek; Riek, Roland; Choe, Senyon. "Facile backbone structure determination of human membrane proteins by NMR spectroscopy."  Nat. Methods 9, 834-839 (2012).

Assembly members:
entity, polymer, 93 residues, 10156.994 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: cell free synthesis   Host organism: E. coli - cell free

Entity Sequences (FASTA):
entity: MSTDTGVSLPSYEEDQGSKL IRKAKEAPFVPVGIAGFAAI VAYGLYKLKSRGNTKMSIHL IHMRVAAQGFVVGAMTVGMG YSMYREFWAKPKP

Data sets:
Data typeCount
13C chemical shifts204
15N chemical shifts71
1H chemical shifts237

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1HIGD1A1

Entities:

Entity 1, HIGD1A 93 residues - 10156.994 Da.

1   METSERTHRASPTHRGLYVALSERLEUPRO
2   SERTYRGLUGLUASPGLNGLYSERLYSLEU
3   ILEARGLYSALALYSGLUALAPROPHEVAL
4   PROVALGLYILEALAGLYPHEALAALAILE
5   VALALATYRGLYLEUTYRLYSLEULYSSER
6   ARGGLYASNTHRLYSMETSERILEHISLEU
7   ILEHISMETARGVALALAALAGLNGLYPHE
8   VALVALGLYALAMETTHRVALGLYMETGLY
9   TYRSERMETTYRARGGLUPHETRPALALYS
10   PROLYSPRO

Samples:

sample_1: HIGD1A, [U-15N], 0.2 mM; MES-Bis-TRIS 20 mM; LMPG 2%; H2O 95%; D2O 5%

sample_2: HIGD1A, [U-15N; U-13C], 0.2 mM; MES-Bis-TRIS 20 mM; LMPG 2%; H2O 95%; D2O 5%

sample_3: HIGD1A, [U-15N; U-13C; U-2H], 0.2 mM; MES-Bis-TRIS 20 mM; LMPG 2%; H2O 95%; D2O 5%

samples_CDL: HIGD1A, [U-15N; U-13C1], 0.2 mM; MES-Bis-TRIS 20 mM; LMPG 2%; H2O 95%; D2O 5%

samples_SL: HIGD1A, [U-15N], 0.2 mM; MES-Bis-TRIS 20 mM; LMPG 2%; H2O 95%; D2O 5%

samples_DL: HIGD1A, [U-15N], 0.2 mM; MES-Bis-TRIS 20 mM; LMPG 2%; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 40 mM; pH: 6.0; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsamples_CDLisotropicsample_conditions_1
2D HNCOsamples_CDLisotropicsample_conditions_1
3D HNCOsample_3isotropicsample_conditions_1
3D HNCAsample_3isotropicsample_conditions_1
3D HNCACBsample_3isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 13C-15N HSQC-NOESY-HSQCsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsamples_SLisotropicsample_conditions_1
2D 1H-15N HSQCsamples_DLisotropicsample_conditions_1

Software:

CYANA v1.04, Guntert, Mumenthaler and Wuthrich - structure solution

TOPSPIN, Bruker Biospin - collection

MCCL v1.0, (MCCL) Kwiatkowski, Maslennikov - combinatorial chemical shift assignment, data analysis

CARA, Keller and Wuthrich - chemical shift assignment, data analysis

NMR spectrometers:

  • Bruker DRX 700 MHz

Related Database Links:

PDB
DBJ BAG34758 BAI46453
EMBL CAB53686 CAG33666 CAI29612 CAL38705
GB AAD27767 AAD33954 AAH00601 AAH09583 AAH09594
REF NP_001093138 NP_001093139 NP_001127074 NP_054775 XP_003256965
SP Q5NVQ1 Q9Y241

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