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 16746

Title: Chemical shift assignment of GmR58A from Geobacter metallireducens. Northeast Structural Genomics Consortium Target GmR58A

Deposition date: 2010-02-28 Original release date: 2010-03-31

Authors: Lee, Hsiau-Wei; Wang, Huang; Buchwald, William; Janjua, Haleema; Nair, R; Rost, Burkhard; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Prestegard, James

Citation: Lee, Hsiau-Wei; Montelione, Gaetano; Prestegard, James. "Solution Structure of GmR58A"  Not known ., .-..

Assembly members:
GmR58A, polymer, 122 residues, 13133.925 Da.

Natural source:   Common Name: Geobacter metallireducens   Taxonomy ID: 28232   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Geobacter metallireducens

Experimental source:   Production method: recombinant technology   Host organism: Geobacter metallireducens

Entity Sequences (FASTA):
GmR58A: MDLPITLSKETPFEGEEITV SARVTNRGAAEAHNVPVAVY LGNPAQGGVEIGRDTISRIP VGGTGLARVQWKATRKLAGR AANPGVPVYAVVDPDNRVAE SDKANNVFSRIVKVLEHHHH HH

Data sets:
Data typeCount
13C chemical shifts451
15N chemical shifts107
1H chemical shifts717
residual dipolar couplings155

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1GmR58A1

Entities:

Entity 1, GmR58A 122 residues - 13133.925 Da.

LEHHHHHH are at the C-terminal as part of Hig-Tag

1   METASPLEUPROILETHRLEUSERLYSGLU
2   THRPROPHEGLUGLYGLUGLUILETHRVAL
3   SERALAARGVALTHRASNARGGLYALAALA
4   GLUALAHISASNVALPROVALALAVALTYR
5   LEUGLYASNPROALAGLNGLYGLYVALGLU
6   ILEGLYARGASPTHRILESERARGILEPRO
7   VALGLYGLYTHRGLYLEUALAARGVALGLN
8   TRPLYSALATHRARGLYSLEUALAGLYARG
9   ALAALAASNPROGLYVALPROVALTYRALA
10   VALVALASPPROASPASNARGVALALAGLU
11   SERASPLYSALAASNASNVALPHESERARG
12   ILEVALLYSVALLEUGLUHISHISHISHIS
13   HISHIS

Samples:

NC_Sample: GmR58A, [U-100% 13C; U-100% 15N], 0.77 mM; sodium azide 2%; DTT 10 mM; CaCl 5 mM; sodium chloride 200 mM; MES 20 mM; H2O 95%; D2O 5%

PEG: GmR58A, [U-100% 13C; U-100% 15N], 0.65 mM; sodium azide 2%; DTT 10 mM; CaCl 5 mM; sodium chloride 200 mM; MES 20 mM; C12E5 4.2%; H2O 95%; D2O 5%

Negative_Gel: GmR58A, [U-100% 13C; U-100% 15N], 0.65 mM; sodium azide 2%; DTT 10 mM; CaCl 5 mM; sodium chloride 200 mM; MES 20 mM; negatively charged compressed polyacrylamide gel 7%; H2O 95%; D2O 5%

Stretch_Gel: GmR58A, [U-100% 13C; U-100% 15N], 0.65 mM; sodium azide 2%; DTT 10 mM; CaCl 5 mM; sodium chloride 200 mM; MES 20 mM; Neutral stretched polyacrylamide gel 5%; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 200 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCNC_Sampleisotropicsample_conditions_1
3D CBCA(CO)NHNC_Sampleisotropicsample_conditions_1
3D C(CO)NHNC_Sampleisotropicsample_conditions_1
3D HNCONC_Sampleisotropicsample_conditions_1
3D HNCACBNC_Sampleisotropicsample_conditions_1
3D HBHA(CO)NHNC_Sampleisotropicsample_conditions_1
3D H(CCO)NHNC_Sampleisotropicsample_conditions_1
3D HCCH-TOCSYNC_Sampleisotropicsample_conditions_1
3D 1H-15N NOESYNC_Sampleisotropicsample_conditions_1
3D 1H-13C NOESYNC_Sampleisotropicsample_conditions_1
NH J-modulationPEGanisotropicsample_conditions_1
NH J-modulationNegative_Gelanisotropicsample_conditions_1
NH J-modulationStretch_Gelanisotropicsample_conditions_1

Software:

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

X-PLOR NIH v2.18, Schwieters, Kuszewski, Tjandra and Clore - refinement

SPARKY v3.115, Goddard - chemical shift assignment

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

PSVS, Bhattacharya and Montelione - data analysis

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

PDB

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