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BMRB Entry 50135

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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/BMR50135
MolProbity Validation Chart

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Title: KirBac1.1_POPC   PubMed: 31980523

Deposition date: 2019-12-16 Original release date: 2019-12-20

Authors: Amani, Reza; Wylie, Benjamin

Citation: Amani, Reza; Borcik, Collin; Khan, Nazmul; Versteeg, Derek; Yekefallah, Maryam; Do, Hoa; Coats, Heather; Wylie, Benjamin. "Conformational changes upon gating of KirBac1.1 into an open-activated state revealed by solid-state NMR and functional assays"  Proc. Natl. Acad. Sci. U.S.A. 117, 2938-2947 (2020).

Assembly members:
entity_1, polymer, 345 residues, Formula weight is not available

Natural source:   Common Name: Burkholderia Pseudomallei   Taxonomy ID: 28450   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Burkholderia Pseudomallei

Experimental source:   Production method: purified from the natural source

Entity Sequences (FASTA):
entity_1: MNVDPFSPHSSDSFAQAASP ARKPPRGGRRIWSGTREVIA YGMPASVWRDLYYWALKVSW PVFFASLAALFVVNNTLFAL LYQLGDAPIANQSPPGFVGA FFFSVETLATVGYGDMHPQT VYAHAIATLECFVGMSGIAL STGLVFARFARPRAKIMFAR HAIVRPFNGRMTLMVRAANA RQNVIAEARAKMRLMRREHS SEGYSLMKIHDLKLVRNEHP IFLLGWNMMHVIDESSPLFG ETPESLAEGRAMLLVMIEGS DETTAQVMQARHAWEHDDIR WHHRYVDLMSDVDGMTHIDY TRFNDTEPVEPPGAAPDAQA FAAKPGEGDARPVPRGSRSH HHHHH

Data sets:
Data typeCount
13C chemical shifts1280
15N chemical shifts303

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1KirBac1.1 in PC bilayers, conformer 11
2KirBac1.1 in PC bilayers, conformer 21

Entities:

Entity 1, KirBac1.1 in PC bilayers, conformer 1 345 residues - Formula weight is not available

1   METASNVALASPPROPHESERPROHISSER
2   SERASPSERPHEALAGLNALAALASERPRO
3   ALAARGLYSPROPROARGGLYGLYARGARG
4   ILETRPSERGLYTHRARGGLUVALILEALA
5   TYRGLYMETPROALASERVALTRPARGASP
6   LEUTYRTYRTRPALALEULYSVALSERTRP
7   PROVALPHEPHEALASERLEUALAALALEU
8   PHEVALVALASNASNTHRLEUPHEALALEU
9   LEUTYRGLNLEUGLYASPALAPROILEALA
10   ASNGLNSERPROPROGLYPHEVALGLYALA
11   PHEPHEPHESERVALGLUTHRLEUALATHR
12   VALGLYTYRGLYASPMETHISPROGLNTHR
13   VALTYRALAHISALAILEALATHRLEUGLU
14   CYSPHEVALGLYMETSERGLYILEALALEU
15   SERTHRGLYLEUVALPHEALAARGPHEALA
16   ARGPROARGALALYSILEMETPHEALAARG
17   HISALAILEVALARGPROPHEASNGLYARG
18   METTHRLEUMETVALARGALAALAASNALA
19   ARGGLNASNVALILEALAGLUALAARGALA
20   LYSMETARGLEUMETARGARGGLUHISSER
21   SERGLUGLYTYRSERLEUMETLYSILEHIS
22   ASPLEULYSLEUVALARGASNGLUHISPRO
23   ILEPHELEULEUGLYTRPASNMETMETHIS
24   VALILEASPGLUSERSERPROLEUPHEGLY
25   GLUTHRPROGLUSERLEUALAGLUGLYARG
26   ALAMETLEULEUVALMETILEGLUGLYSER
27   ASPGLUTHRTHRALAGLNVALMETGLNALA
28   ARGHISALATRPGLUHISASPASPILEARG
29   TRPHISHISARGTYRVALASPLEUMETSER
30   ASPVALASPGLYMETTHRHISILEASPTYR
31   THRARGPHEASNASPTHRGLUPROVALGLU
32   PROPROGLYALAALAPROASPALAGLNALA
33   PHEALAALALYSPROGLYGLUGLYASPALA
34   ARGPROVALPROARGGLYSERARGSERHIS
35   HISHISHISHISHIS

Samples:

sample_1: H2O 55.5 M; KCl 50 mM; TRIS 50 mM; sodium azide 0.02%; POPC 50%; KirBac1.1, [U-100% 13C; U-100% 15N], 50%

sample_conditions_1: ionic strength: 50 mM; pH: 7.5; pressure: 1 atm; temperature: 253 K

Experiments:

NameSampleSample stateSample conditions
3D NCACXsample_1isotropicsample_conditions_1
3D NCOCXsample_1isotropicsample_conditions_1
3D CANcoCAsample_1isotropicsample_conditions_1
2D C-Csample_1isotropicsample_conditions_1

Software:

SPARKY, Goddard - data analysis

NMR spectrometers:

  • Agilent ASC 600 MHz

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