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 7066

Title: Structure of the Cadmium metal-sensor CmtR from Mycobacterium tuberculosis   PubMed: 17599915

Deposition date: 2006-04-10 Original release date: 2008-07-07

Authors: Banci, L.; Bertini, I.; Cantini, F.; Ciofi-Baffoni, S.; Cavet, J.; Dennison, C.; Graham, A.; Harvie, D.; Robinson, N.

Citation: Banci, L.; Bertini, I.; Cantini, F.; Ciofi-Baffoni, S.; Cavet, J.; Dennison, C.; Graham, A.; Harvie, D.; Robinson, N.. "NMR structural analysis of cadmium sensing by winged helix repressor CmtR"  J. Biol. Chem. 282, 30181-30188 (2007).

Assembly members:
CmtR, polymer, 118 residues, Formula weight is not available
CD, non-polymer, 112.411 Da.

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

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
CmtR: MLTCEMRESALARLGRALAD PTRCRILVALLDGVCYPGQL AAHLGLTRSNVSNHLSCLRG CGLVVATYEGRQVRYALADS HLARALGELVQVVLAVDTDQ PCVAERAASGEAVEMTGS

Data sets:
Data typeCount
13C chemical shifts309
15N chemical shifts102
1H chemical shifts643

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CmtR chain A1
2CmtR chain B1
3CADMIUM (II) ION 12
4CADMIUM (II) ION 22

Entities:

Entity 1, CmtR chain A 118 residues - Formula weight is not available

1   METLEUTHRCYSGLUMETARGGLUSERALA
2   LEUALAARGLEUGLYARGALALEUALAASP
3   PROTHRARGCYSARGILELEUVALALALEU
4   LEUASPGLYVALCYSTYRPROGLYGLNLEU
5   ALAALAHISLEUGLYLEUTHRARGSERASN
6   VALSERASNHISLEUSERCYSLEUARGGLY
7   CYSGLYLEUVALVALALATHRTYRGLUGLY
8   ARGGLNVALARGTYRALALEUALAASPSER
9   HISLEUALAARGALALEUGLYGLULEUVAL
10   GLNVALVALLEUALAVALASPTHRASPGLN
11   PROCYSVALALAGLUARGALAALASERGLY
12   GLUALAVALGLUMETTHRGLYSER

Entity 2, CADMIUM (II) ION 1 - Cd - 112.411 Da.

1   CD

Samples:

sample_1: CmtR 1 mM; phosphate buffer 50 mM; NaCl 50 mM; DTT 3 mM; H2O 90%; D2O 10%

sample_2: CmtR, [U-15N], 1 mM; phosphate buffer 50 mM; NaCl 50 mM; DTT 3 mM; H2O 90%; D2O 10%

sample_3: CmtR, [U-15N; U-13C], 1 mM; phosphate buffer 50 mM; NaCl 50 mM; DTT 3 mM; H2O 90%; D2O 10%

sample_cond_1: ionic strength: 50 mM; pH: 7; pressure: 1 atm; temperature: 312 K

Experiments:

NameSampleSample stateSample conditions
2D NOESYnot availablenot availablesample_cond_1
3D 15N-separated NOESYnot availablenot availablesample_cond_1
HNCAnot availablenot availablesample_cond_1
HN(CO)CAnot availablenot availablesample_cond_1
CBCA(CO)NHnot availablenot availablesample_cond_1
HNCOnot availablenot availablesample_cond_1
3D 13C-separated NOESYnot availablenot availablesample_cond_1
CCH-TOCSYnot availablenot availablesample_cond_1

Software:

xwinnmr v3.1 - processing

XEASY v1.3 - data analysis

CARA v1.4 - data analysis

CYANA v1.1 - structure solution

AMBER v8.0 - refinement

NMR spectrometers:

  • Bruker AVANCE 800 MHz

Related Database Links:

PDB
DBJ BAH26291 BAL65990 BAQ06044 GAA45697
EMBL CAD96870 CAL71999 CCC27076 CCC44346 CCC64589
GB AAK46327 ABQ73769 ABR06361 ACT25060 AEB04132
REF NP_216510 NP_336513 NP_855667 WP_003410018 WP_003903707
SP P67732 P9WMI8 P9WMI9

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