BMRB Entry 18326

Name: 1H, 13C, and 15N resonance assignments of Ni(II)-NmtR
Published: 2012-06-05

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18326

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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:

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

Deposition date:

2012-03-13

Original release date:

2012-06-05

Authors:

Lee, Chul Won; Giedroc, David

Citation:

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).
PubMed: 22618866

Assembly members:

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

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

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

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	69
15N chemical shifts	81
1H chemical shifts	81

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	NmtR, chain 1	1
2	NmtR, chain 2	1
3	Ni (II), 1	2
4	Ni (II), 2	2

Entities:

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

1

GLY

HIS

GLY

VAL

GLU

GLY

ARG

ASN

ARG

PRO

2

SER

ALA

PRO

LEU

ASP

SER

GLN

ALA

3

GLN

VAL

ALA

SER

THR

LEU

GLN

ALA

LEU

ALA

4

THR

PRO

SER

ARG

LEU

MET

ILE

LEU

THR

GLN

5

LEU

ARG

ASN

GLY

PRO

LEU

PRO

VAL

THR

ASP

6

LEU

ALA

GLU

ALA

ILE

GLY

MET

GLU

GLN

SER

7

ALA

VAL

SER

HIS

GLN

LEU

ARG

VAL

LEU

ARG

8

ASN

LEU

GLY

LEU

VAL

GLY

ASP

ARG

ALA

9

GLY

ARG

SER

ILE

VAL

TYR

SER

LEU

TYR

ASP

10

THR

HIS

VAL

ALA

GLN

LEU

ASP

GLU

ALA

11

ILE

TYR

HIS

SER

GLU

HIS

LEU

HIS

LEU

GLY

12

LEU

SER

ASP

ARG

HIS

PRO

SER

ALA

GLY

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:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_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

BMRB	18003
PDB	2LKP
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
AlphaFold	O69711