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Biological Magnetic Resonance Data Bank


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BMRB Entry 25685

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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/BMR25685
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Title: Structure of the Transmembrane Electron Transporter CcdA

Deposition date: 2015-07-01 Original release date: 2015-09-02

Authors: Chou, James; Williamson, Jessica

Citation: Williamson, Jessica; Cho, Seung-Hyung; Ye, Jiqing; Collet, Jean-Francois; Beckwith, Jonathan; Chou, James. "NMR Structure of the Transmembrane Electron Transporter CcdA"  Nat. Struct. Biol. ., .-..

Assembly members:
CcdA, polymer, 208 residues, 20955.492 Da.

Natural source:   Common Name: euryarchaeotes   Taxonomy ID: 2234   Superkingdom: Archaea   Kingdom: not available   Genus/species: Archaeoglobus fulgidus

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

Entity Sequences (FASTA):
CcdA: GSTSQEQPTAQLMAFALGIL SVFSPAVLPVVPLIFAGSRG RALDAFLIVAGLTISMLILG YTASLFFGFFRVVAMLFLLI FALILLSDELDEKVSIFASR MTSGLSWKIQTLPSFFFGML LAFLWLPAILPFAGIAISQT LLSENPLVMLSYGLGMAVTI AAVFKMGEKFVKANFQLIRK VTGAIVLLYLAYFALTEVLL LEHHHHHH

Data sets:
Data typeCount
13C chemical shifts451
15N chemical shifts156
1H chemical shifts158

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 208 residues - 20955.492 Da.

Residues 1-10 represent a non-native sequence left over from protease cleavage that removed the N-terminal DsbD fusion protein. The C-terminal HHHHHH is a non-native affinity tag used for purification.

1   GLYSERTHRSERGLNGLUGLNPROTHRALA
2   GLNLEUMETALAPHEALALEUGLYILELEU
3   SERVALPHESERPROALAVALLEUPROVAL
4   VALPROLEUILEPHEALAGLYSERARGGLY
5   ARGALALEUASPALAPHELEUILEVALALA
6   GLYLEUTHRILESERMETLEUILELEUGLY
7   TYRTHRALASERLEUPHEPHEGLYPHEPHE
8   ARGVALVALALAMETLEUPHELEULEUILE
9   PHEALALEUILELEULEUSERASPGLULEU
10   ASPGLULYSVALSERILEPHEALASERARG
11   METTHRSERGLYLEUSERTRPLYSILEGLN
12   THRLEUPROSERPHEPHEPHEGLYMETLEU
13   LEUALAPHELEUTRPLEUPROALAILELEU
14   PROPHEALAGLYILEALAILESERGLNTHR
15   LEULEUSERGLUASNPROLEUVALMETLEU
16   SERTYRGLYLEUGLYMETALAVALTHRILE
17   ALAALAVALPHELYSMETGLYGLULYSPHE
18   VALLYSALAASNPHEGLNLEUILEARGLYS
19   VALTHRGLYALAILEVALLEULEUTYRLEU
20   ALATYRPHEALALEUTHRGLUVALLEULEU
21   LEUGLUHISHISHISHISHISHIS

Samples:

sample_1: CcdA, [U-100% 13C; U-100% 15N; U-80% 2H], 0.8 ± 0.2 mM; MES 20 ± 1 mM; sodium chloride 50 ± 1 mM; dodecylphosphocholine 100 ± 10 mM; H2O 95%; D2O 5%

sample_2: CcdA, [U-100% 13C; U-100% 15N], 0.8 ± 0.2 mM; MES 20 ± 1 mM; sodium chloride 50 ± 1 mM; dodecylphosphocholine, [U-99% 2H], 100 ± 10 mM; H2O 95 ± 10 %; D2O 5 ± 10 %

sample_conditions_1: ionic strength: 0.15 M; pH: 6; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSY-HSQCsample_1isotropicsample_conditions_1
3D TROSY HNCAsample_1isotropicsample_conditions_1
3D TROSY HN(CO)CAsample_1isotropicsample_conditions_1
3D TROSY HN(CA)COsample_1isotropicsample_conditions_1
3D TROSY HNCOsample_1isotropicsample_conditions_1
3D TROSY HNCACBsample_1isotropicsample_conditions_1
2D 1H-15N TROSY-HSQCsample_2isotropicsample_conditions_1
3D 15N-edited NOESY TROSY-HSQC (60 ms mix time)sample_2isotropicsample_conditions_1
3D 15N-edited NOESY TROSY-HSQC (120 ms mix time)sample_2isotropicsample_conditions_1
3D 13C-edited Methyl NOESY (150 ms mix time)sample_2isotropicsample_conditions_1
4D double 15N-edited NOESY (200 ms mix time)sample_1isotropicsample_conditions_1

Software:

X-PLOR_NIH v2.38, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

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

TOPSPIN v3.0, Bruker Biospin - collection

CCPNMR, CCPN - chemical shift assignment

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

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

GB AAB90190 AIG97935
REF WP_048064325

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