BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 18326

Title: 1H, 13C, and 15N resonance assignments of Ni(II)-NmtR   PubMed: 22618866

Deposition date: 2012-03-13 Original release date: 2012-06-05

Authors: Lee, Chul Won; Giedroc, David

Citation: Lee, Chul Won; Giedroc, David. "1H, 13C, and 15N resonance assignments of NmtR, a Ni(II)/Co(II) metalloregulatory protein of Mycobacterium tuberculosis."  Biomol. NMR Assignments 7, 145-148 (2013).

Assembly members:
entity_NmtR, polymer, 119 residues, 12720.436 Da.
entity_NI, non-polymer, 58.693 Da.

Natural source:   Common Name: High GC Gram+   Taxonomy ID: 1773   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Mycobacterium tuberculosis

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

Entity Sequences (FASTA):
entity_NmtR: GHGVEGRNRPSAPLDSQAAA QVASTLQALATPSRLMILTQ LRNGPLPVTDLAEAIGMEQS AVSHQLRVLRNLGLVVGDRA GRSIVYSLYDTHVAQLLDEA IYHSEHLHLGLSDRHPSAG

Data sets:
Data typeCount
13C chemical shifts69
15N chemical shifts81
1H chemical shifts81

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1NmtR, chain 11
2NmtR, chain 21
3Ni (II), 12
4Ni (II), 22

Entities:

Entity 1, NmtR, chain 1 119 residues - 12720.436 Da.

1   GLYHISGLYVALGLUGLYARGASNARGPRO
2   SERALAPROLEUASPSERGLNALAALAALA
3   GLNVALALASERTHRLEUGLNALALEUALA
4   THRPROSERARGLEUMETILELEUTHRGLN
5   LEUARGASNGLYPROLEUPROVALTHRASP
6   LEUALAGLUALAILEGLYMETGLUGLNSER
7   ALAVALSERHISGLNLEUARGVALLEUARG
8   ASNLEUGLYLEUVALVALGLYASPARGALA
9   GLYARGSERILEVALTYRSERLEUTYRASP
10   THRHISVALALAGLNLEULEUASPGLUALA
11   ILETYRHISSERGLUHISLEUHISLEUGLY
12   LEUSERASPARGHISPROSERALAGLY

Entity 2, Ni (II), 1 - Ni - 58.693 Da.

1   NI

Samples:

sample_1: Ni(II)-bound NmtR homedimer, [U-13C; U-15N], 0.5-1 mM

sample_2: Ni(II)-bound NmtR homedimer, [U-13C; U-15N], 0.5-1 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 7.0; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1

Software:

VNMRJ, Varian - collection

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

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

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz

Related Database Links:

BMRB 18003
PDB
DBJ BAH28075 BAL67871 BAQ07970 GAA43630
EMBL CAL73793 CCC28822 CCC46095 CCC66360 CCE39167
GB AAK48216 ABQ75571 ABR08101 ACT26897 AEB05941
REF NP_218261 NP_857407 WP_003901716 WP_003906203 WP_031667682
SP O69711

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