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BMRB Entry 16957

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16957
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Title: Solution structure of the voltage-sensing domain of KvAP   PubMed: 20851706

Deposition date: 2010-05-26 Original release date: 2010-09-24

Authors: Butterwick, Joel; MacKinnon, Roderick

Citation: Butterwick, Joel; MacKinnon, Roderick. "Solution structure and phospholipid interactions of the isolated voltage-sensor domain from KvAP."  J. Mol. Biol. 403, 591-606 (2010).

Assembly members:
KvAP, polymer, 147 residues, 16197.432 Da.

Natural source:   Common Name: Aeropyrum pernix   Taxonomy ID: 56636   Superkingdom: Archaea   Kingdom: not available   Genus/species: Aeropyrum pernix

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
KvAP: LRGLSDLGGRVRNIGDVMEH PLVELGVSYAALLSVIVVVV EYTMQLSGEYLVRLYLVDLI LVIILWADYAYRAYKSGDPA GYVKKTLYEIPALVPAGLLA LIEGHLAGLGLFRLVRLLRF LRILLIISRGSKFLSAIADA ADKLVPR

Data typeCount
13C chemical shifts353
15N chemical shifts231
1H chemical shifts233

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1voltage-sensor domain of KvAP1

Entities:

Entity 1, voltage-sensor domain of KvAP 147 residues - 16197.432 Da.

1   LEUARGGLYLEUSERASPLEUGLYGLYARG
2   VALARGASNILEGLYASPVALMETGLUHIS
3   PROLEUVALGLULEUGLYVALSERTYRALA
4   ALALEULEUSERVALILEVALVALVALVAL
5   GLUTYRTHRMETGLNLEUSERGLYGLUTYR
6   LEUVALARGLEUTYRLEUVALASPLEUILE
7   LEUVALILEILELEUTRPALAASPTYRALA
8   TYRARGALATYRLYSSERGLYASPPROALA
9   GLYTYRVALLYSLYSTHRLEUTYRGLUILE
10   PROALALEUVALPROALAGLYLEULEUALA
11   LEUILEGLUGLYHISLEUALAGLYLEUGLY
12   LEUPHEARGLEUVALARGLEULEUARGPHE
13   LEUARGILELEULEUILEILESERARGGLY
14   SERLYSPHELEUSERALAILEALAASPALA
15   ALAASPLYSLEUVALPROARG

Samples:

sample_N: KvAP, [U-98% 15N], 0.1 – 0.5 mM; HEPES 20 mM; potassium chloride 20 mM; diheptanoyl phosphatidylcholine mM; H2O 90%; D2O 10%

sample_Nd2o: KvAP, [U-98% 15N], 0.1 – 0.5 mM; HEPES 20 mM; potassium chloride 20 mM; diheptanoyl phosphatidylcholine mM; D2O 99%

sample_DCN: KvAP, [U-100% 13C; U-100% 15N; U-50% 2H], 0.1 – 0.5 mM; HEPES 20 mM; potassium chloride 20 mM; diheptanoyl phosphatidylcholine mM; H2O 90%; D2O 10%

sample_CN: KvAP, [U-98% 13C; U-98% 15N], 0.1 – 0.5 mM; HEPES 20 mM; potassium chloride 20 mM; diheptanoyl phosphatidylcholine mM; D2O 99%

sample_methyl: KvAP, [13CH3/12CD2]-Leu,Val;[13CH3]-Ile, 0.1 – 0.5 mM; HEPES 20 mM; potassium chloride 20 mM; diheptanoyl phosphatidylcholine mM; H2O 90%; D2O 10%

sample_Arg: KvAP, [U-98% 13C; U-98% 15N]-Arg, 0.3 – 0.3 mM; HEPES 20 mM; potassium chloride 20 mM; diheptanoyl phosphatidylcholine mM; H2O 90%; D2O 10%

sample_LGA: KvAP, [98% 1-13C,98% 15N]-Leu; [98% 2-13C]-Gly; [98% 2,3-13C]-Ala, 0.3 – 0.3 mM; HEPES 20 mM; potassium chloride 20 mM; diheptanoyl phosphatidylcholine mM; H2O 90%; D2O 10%

sample_ILV: KvAP, [98% 15N]-Ile; [98% 2-13C]-Leu; [98% 1-13C]-Val, 0.3 – 0.3 mM; HEPES 20 mM; potassium chloride 20 mM; diheptanoyl phosphatidylcholine mM; H2O 90%; D2O 10%

sample_10C: KvAP, [U-10% 13C], 0.3 – 0.3 mM; HEPES 20 mM; potassium chloride 20 mM; diheptanoyl phosphatidylcholine mM; D2O 99%

sample_conditions_1: ionic strength: 40 mM; pH: 7.0; pressure: 1 atm; temperature: 318 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_Nisotropicsample_conditions_1
3D TROSY HNCOsample_DCNisotropicsample_conditions_1
3D TROSY HNCAsample_DCNisotropicsample_conditions_1
3D TROSY HN(CO)CAsample_DCNisotropicsample_conditions_1
3D HCCH-COSYsample_CNisotropicsample_conditions_1
3D TROSY HNCACBsample_DCNisotropicsample_conditions_1
3D 1H-15N NOESYsample_Nisotropicsample_conditions_1
3D 1H-13C NOESYsample_CNisotropicsample_conditions_1
3D 1H-13C NOESYsample_methylisotropicsample_conditions_1
2D 1H-15N HSQCsample_DCNisotropicsample_conditions_1
2D 1H-15N HSQCsample_Nd2oisotropicsample_conditions_1
2D HN(CO)sample_LGAisotropicsample_conditions_1
2D H(N)COsample_LGAisotropicsample_conditions_1
2D HN(CA)sample_LGAisotropicsample_conditions_1
2D H(N)CAsample_LGAisotropicsample_conditions_1
2D HN(CO)sample_ILVisotropicsample_conditions_1
2D H(N)COsample_ILVisotropicsample_conditions_1
2D HN(CA)sample_ILVisotropicsample_conditions_1
2D H(N)CAsample_ILVisotropicsample_conditions_1
2D 1H-15N HSQCsample_LGAisotropicsample_conditions_1
2D 1H-15N HSQCsample_ILVisotropicsample_conditions_1
2D 1H-15N HSQCsample_Argisotropicsample_conditions_1
2D HN(CA)sample_Argisotropicsample_conditions_1
2D H(N)CAsample_Argisotropicsample_conditions_1
3D 1H-15N NOESYsample_DCNisotropicsample_conditions_1
3D 1H-15N NOESYsample_Nd2oisotropicsample_conditions_1
3D 1H-13C NOESYarosample_CNisotropicsample_conditions_1
2D 1H-13C HSQCsample_10Cisotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

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

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker DMX 900 MHz
  • Bruker DMX 800 MHz
  • Bruker DMX 700 MHz
  • Bruker DMX 600 MHz

Related Database Links:

PDB
DBJ BAA79939
SP Q9YDF8

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