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BMRB Entry 19971

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19971
MolProbity Validation Chart

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Title: CupS   PubMed: 25982357

Deposition date: 2014-05-13 Original release date: 2015-06-08

Authors: Korste, Annika; Wulfhorst, Hannes; Ikegami, Takahisa; Nowaczyk, Marc; Stoll, Raphael

Citation: Korste, Annika; Wulfhorst, Hannes; Ikegami, Takahisa; Nowaczyk, Marc; Stoll, Raphael. "Solution structure of the NDH-1 complex subunit CupS from Thermosynechococcus elongatus"  Biochim. Biophys. Acta ., .-. (2015).

Assembly members:
CupS, polymer, 159 residues, 16969.4169 Da.

Natural source:   Common Name: Thermosynechococcus elongatus   Taxonomy ID: 146786   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Thermosynechococcus elongatus

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

Entity Sequences (FASTA):
CupS: MATIVDIAVNTPGFSTLVTA VKVANLVEALQSPGPFTVFA PNDDAFAKLPDGTITSLVQN PPQLGRILKYHVVAGAYKAT DLKRMGIVTSLEGSTIPIHG DNPLEVKNATVLAADIEAEN GIIHVIDTVILMGLDPAHSF QETNIPYKVSAWSHPQFEK

Data sets:
Data typeCount
13C chemical shifts647
15N chemical shifts156
1H chemical shifts1063

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1CupS1

Entities:

Entity 1, CupS 159 residues - 16969.4169 Da.

The sequence of CupS contains the amino acids 1-149 followed by a C-terminal two amino acid linker and an eight residue StrepTag.

1   METALATHRILEVALASPILEALAVALASN
2   THRPROGLYPHESERTHRLEUVALTHRALA
3   VALLYSVALALAASNLEUVALGLUALALEU
4   GLNSERPROGLYPROPHETHRVALPHEALA
5   PROASNASPASPALAPHEALALYSLEUPRO
6   ASPGLYTHRILETHRSERLEUVALGLNASN
7   PROPROGLNLEUGLYARGILELEULYSTYR
8   HISVALVALALAGLYALATYRLYSALATHR
9   ASPLEULYSARGMETGLYILEVALTHRSER
10   LEUGLUGLYSERTHRILEPROILEHISGLY
11   ASPASNPROLEUGLUVALLYSASNALATHR
12   VALLEUALAALAASPILEGLUALAGLUASN
13   GLYILEILEHISVALILEASPTHRVALILE
14   LEUMETGLYLEUASPPROALAHISSERPHE
15   GLNGLUTHRASNILEPROTYRLYSVALSER
16   ALATRPSERHISPROGLNPHEGLULYS

Samples:

CupS_1: CupS, [U-99% 13C; U-99% 15N], 0.5 mM; Tris 50 mM; NaCl 50 mM; DTT, [U-2H], 10 mM

1: pH: 8.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC/HMQCCupS_1isotropic1
2D 1H-13C HSQC/HMQCCupS_1isotropic1
3D HNCACBCupS_1isotropic1
3D CBCA(CO)NHCupS_1isotropic1
3D 1H-15N NOESYCupS_1isotropic1
3D HBHA(CO)NHCupS_1isotropic1
3D H(CCO)NHCupS_1isotropic1
3D C(CO)NHCupS_1isotropic1
3D HNCOCupS_1isotropic1
3D HCCH-TOCSYCupS_1isotropic1
3D HCCH-COSYCupS_1isotropic1
3D 1H-13C NOESY aliphaticCupS_1isotropic1
3D 1H-13C NOESY aromaticCupS_1isotropic1

Software:

CcpNmr_Analysis v2.2, CCPN - Spectrum analysis

nmrDraw vany, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - Spectrum display

nmrPipe vany, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Linge, O'Donoghue and Nilges - Spectrum processing, structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

  • Bruker Avance 950 MHz
  • Bruker DRX 500 MHz
  • Bruker DRX 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

PDB
DBJ BAC07773
REF NP_681011 WP_011056075

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