BMRB Entry 50959

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50959

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Title:
Resonance assignment of Mg-bound CorA in DMPC
Deposition date:
2021-06-02
Original release date:
2021-07-07
Authors:
Schubeis, Tobias; Bonaccorsi, Marta; Pintacuda, Guido
Citation:

Citation: Johansen, Nicolai Tidemand; Bonaccorsi, Marta; Bengtsen, Tone; Larsen, Andreas Haahr; Tidemand, Frederik Gronbak; Pedersen, Martin Cramer; Huda, Pie; Berndtsson, Jens; Darwish, Tamim; Yepuri, Nageshewar Rao; Martel, Anne; Pomorski, Thomas Gunther; Bertarello, Andrea; Sansom, Mark; Rapp, Mikaela; Crehuet, Ramon; Schubeis, Tobias; Lindorff-Larsen, Kresten; Pintacuda, Guido; Arleth, Lise. "Mg 2+-dependent conformational equilibria in CorA and an integrated view on transport regulation"  Elife 11, e71887-e71887 (2022).
PubMed: 35129435

Assembly members:

Assembly members:
entity_1, polymer, 351 residues, Formula weight is not available
entity_MG, non-polymer, 24.305 Da.

Natural source:

Natural source:   Common Name: Thermotoga maritima   Taxonomy ID: 2336   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Thermotoga maritima

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MEEKRLSAKKGLPPGTLVYT GKYREDFEIEVMNYSIEEFR EFKTTDVESVLPFRDSSTPT WINITGIHRTDVVQRVGEFF GIHPLVLEDILNVHQRPKVE FFENYVFIVLKMFTYDKNLH ELESEQVSLILTKNCVLMFQ EKIGDVFDPVRERIRYNRGI IRKKRADYLLYSLIDALVDD YFVLLEKIDDEIDVLEEEVL ERPEKETVQRTHQLKRNLVE LRKTIWPLREVLSSLYRDVP PLIEKETVPYFRDVYDHTIQ IADTVETFRDIVSGLLDVYL SSVSNKTNEVMKVLTIIATI FMPLTFIAGIYGMNFEYMPE LRWKWGYPVVLAVMGVIAVI MVVYFKKKKWL

Data sets:
Data typeCount
13C chemical shifts361
15N chemical shifts119
1H chemical shifts247

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CorA1
2MG2

Entities:

Entity 1, CorA 351 residues - Formula weight is not available

1   METGLUGLULYSARGLEUSERALALYSLYS
2   GLYLEUPROPROGLYTHRLEUVALTYRTHR
3   GLYLYSTYRARGGLUASPPHEGLUILEGLU
4   VALMETASNTYRSERILEGLUGLUPHEARG
5   GLUPHELYSTHRTHRASPVALGLUSERVAL
6   LEUPROPHEARGASPSERSERTHRPROTHR
7   TRPILEASNILETHRGLYILEHISARGTHR
8   ASPVALVALGLNARGVALGLYGLUPHEPHE
9   GLYILEHISPROLEUVALLEUGLUASPILE
10   LEUASNVALHISGLNARGPROLYSVALGLU
11   PHEPHEGLUASNTYRVALPHEILEVALLEU
12   LYSMETPHETHRTYRASPLYSASNLEUHIS
13   GLULEUGLUSERGLUGLNVALSERLEUILE
14   LEUTHRLYSASNCYSVALLEUMETPHEGLN
15   GLULYSILEGLYASPVALPHEASPPROVAL
16   ARGGLUARGILEARGTYRASNARGGLYILE
17   ILEARGLYSLYSARGALAASPTYRLEULEU
18   TYRSERLEUILEASPALALEUVALASPASP
19   TYRPHEVALLEULEUGLULYSILEASPASP
20   GLUILEASPVALLEUGLUGLUGLUVALLEU
21   GLUARGPROGLULYSGLUTHRVALGLNARG
22   THRHISGLNLEULYSARGASNLEUVALGLU
23   LEUARGLYSTHRILETRPPROLEUARGGLU
24   VALLEUSERSERLEUTYRARGASPVALPRO
25   PROLEUILEGLULYSGLUTHRVALPROTYR
26   PHEARGASPVALTYRASPHISTHRILEGLN
27   ILEALAASPTHRVALGLUTHRPHEARGASP
28   ILEVALSERGLYLEULEUASPVALTYRLEU
29   SERSERVALSERASNLYSTHRASNGLUVAL
30   METLYSVALLEUTHRILEILEALATHRILE
31   PHEMETPROLEUTHRPHEILEALAGLYILE
32   TYRGLYMETASNPHEGLUTYRMETPROGLU
33   LEUARGTRPLYSTRPGLYTYRPROVALVAL
34   LEUALAVALMETGLYVALILEALAVALILE
35   METVALVALTYRPHELYSLYSLYSLYSTRP
36   LEU

Entity 2, MG - Mg - 24.305 Da.

1   MG

Samples:

sample_1: pentameric CorA in DMPC bilayers, [U-13C; U-15N], 1 mg

sample_conditions_1: pH: 7.5; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
3D hCANHsample_1isotropicsample_conditions_1
3D hcoCAcoNHsample_1isotropicsample_conditions_1
3D hCONHsample_1isotropicsample_conditions_1
3D hCOcaNHsample_1isotropicsample_conditions_1
3D hcaCBcaNHsample_1isotropicsample_conditions_1
3D hcaCBcacoNHsample_1isotropicsample_conditions_1
3D HNCAHasample_1isotropicsample_conditions_1
3D hNcoCAHasample_1isotropicsample_conditions_1
3D hCOCAHasample_1isotropicsample_conditions_1
3D hCBCAHasample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1

Software:

CcpNMR v2.4 - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 1000 MHz
  • Bruker AVANCE III 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks