BMRB Entry 34812

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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/BMR34812
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Title:
NMR solution structure of the heavy metal binding domain of P1B-ATPase LpCopA.
Deposition date:
2023-04-26
Original release date:
2023-05-24
Authors:
Nielsen, T.
Citation:

Citation: Nielsen, J.. "NMR solution structure of the heavy metal binding domain of P1B-ATPase LpCopA."  .

Assembly members:

Assembly members:
entity_1, polymer, 83 residues, 9187.321 Da.

Natural source:

Natural source:   Common Name: Legionella pneumophila   Taxonomy ID: 446   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Legionella pneumophila

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Yeast two-hybrid vector pC-ACT.1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GKHDHHQGHTHSGKGHACHH EHNSPKTQQASSKMEGPIVY TCPMHPEIRQSAPGHCPLCG MALEPETVTVSEVVSPEYLD MRR

Data sets:
Data typeCount
13C chemical shifts314
15N chemical shifts74
1H chemical shifts425

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 83 residues - 9187.321 Da.

1   GLYLYSHISASPHISHISGLNGLYHISTHR
2   HISSERGLYLYSGLYHISALACYSHISHIS
3   GLUHISASNSERPROLYSTHRGLNGLNALA
4   SERSERLYSMETGLUGLYPROILEVALTYR
5   THRCYSPROMETHISPROGLUILEARGGLN
6   SERALAPROGLYHISCYSPROLEUCYSGLY
7   METALALEUGLUPROGLUTHRVALTHRVAL
8   SERGLUVALVALSERPROGLUTYRLEUASP
9   METARGARG

Samples:

sample_1: Heavy metal binding domain (HMBD) of LpCopA, [U-100% 13C; U-100% 15N], 100 mg/mL; 2-(N-morpholino)ethanesulfonic acid 50 mM; KCl 100 mM; TCEP (tris(2-carboxyethyl)phosphine) 2 mM

sample_2: Heavy metal binding domain (HMBD) of LpCopA, [U-100% 13C; U-100% 15N], 100 mg/mL; 2-(N-morpholino)ethanesulfonic acid 50 mM; KCl 100 mM; TCEP (tris(2-carboxyethyl)phosphine) 2 mM; AgNO3 13 mM

sample_conditions_1: ionic strength: 100 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D H(CCO)NHsample_2isotropicsample_conditions_1
3D H(CCO)NHsample_2isotropicsample_conditions_1

Software:

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

Sparky, Goddard - peak picking

NMR spectrometers:

  • Bruker AVANCE 800 MHz

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