BMRB Entry 7066

Name: Structure of the Cadmium metal-sensor CmtR from Mycobacterium tuberculosis
Published: 2008-07-07

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR7066

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
13C chemical shifts	309
15N chemical shifts	102
1H chemical shifts	643

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CmtR chain A	1
2	CmtR chain B	1
3	CADMIUM (II) ION 1	2
4	CADMIUM (II) ION 2	2

Entities:

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

1

MET

LEU

THR

CYS

GLU

MET

ARG

GLU

SER

ALA

2

LEU

ALA

ARG

LEU

GLY

ARG

ALA

LEU

ALA

ASP

3

PRO

THR

ARG

CYS

ARG

ILE

LEU

VAL

ALA

LEU

4

LEU

ASP

GLY

VAL

CYS

TYR

PRO

GLY

GLN

LEU

5

ALA

HIS

LEU

GLY

LEU

THR

ARG

SER

ASN

6

VAL

SER

ASN

HIS

LEU

SER

CYS

LEU

ARG

GLY

7

CYS

GLY

LEU

VAL

ALA

THR

TYR

GLU

GLY

8

ARG

GLN

VAL

ARG

TYR

ALA

LEU

ALA

ASP

SER

9

HIS

LEU

ALA

ARG

ALA

LEU

GLY

GLU

LEU

VAL

10

GLN

VAL

LEU

ALA

VAL

ASP

THR

ASP

GLN

11

PRO

CYS

VAL

ALA

GLU

ARG

ALA

SER

GLY

12

GLU

ALA

VAL

GLU

MET

THR

GLY

SER

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:

Name	Sample	Sample state	Sample conditions
2D NOESY	not available	not available	sample_cond_1
3D 15N-separated NOESY	not available	not available	sample_cond_1
HNCA	not available	not available	sample_cond_1
HN(CO)CA	not available	not available	sample_cond_1
CBCA(CO)NH	not available	not available	sample_cond_1
HNCO	not available	not available	sample_cond_1
3D 13C-separated NOESY	not available	not available	sample_cond_1
CCH-TOCSY	not available	not available	sample_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

PDB	2JSC
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

Biological Magnetic Resonance Data Bank