BMRB Entry 34602

Name: NMR structure of Rv1813c from Mycobacterium tuberculosis
Published: 2021-03-26

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PDB ID: 7nhz
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34602
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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:

NMR structure of Rv1813c from Mycobacterium tuberculosis

Deposition date:

2021-02-11

Original release date:

2021-03-26

Authors:

Barthe, P.; Cohen-Gonsaud, M.

Citation:

Citation: Martin, Marianne; deVisch, Angelique; Boudehen, Yves-Marie; Barthe, Philippe; Gutierrez, Claude; Turapov, Obolbek; Aydogan, Talip; Heriaud, Laurene; Gracy, Jerome; Neyrolles, Olivier; Mukamolova, Galina; Letourneur, Francois; Cohen-Gonsaud, Martin. "A Mycobacterium tuberculosis Effector Targets Mitochondrion, Controls Energy Metabolism, and Limits Cytochrome c Exit" Microbiol. Spectr. 11, e0106623-e0106623 (2023).
PubMed: 37036353

Assembly members:

Assembly members:
entity_1, polymer, 120 residues, 12714.432 Da.

Natural source:

Natural source: Common Name: Mycobacterium tuberculosis Taxonomy ID: 83332 Superkingdom: Bacteria Kingdom: not available Genus/species: Mycobacterium tuberculosis

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GPHMPTVDAHLANGSMSEVM MSEIAGLPIPPIIHYGAIAY APSGASGKAWHQRTPARAEQ VALEKCGDKTCKVVSRFTRC GAVAYNGSKYQGGTGLTRRA AEDDAVNRLEGGRIVNWACN

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	317
15N chemical shifts	124
1H chemical shifts	755

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 120 residues - 12714.432 Da.

1	GLY	PRO	HIS	MET	PRO	THR	VAL	ASP	ALA	HIS
2	LEU	ALA	ASN	GLY	SER	MET	SER	GLU	VAL	MET
3	MET	SER	GLU	ILE	ALA	GLY	LEU	PRO	ILE	PRO
4	PRO	ILE	ILE	HIS	TYR	GLY	ALA	ILE	ALA	TYR
5	ALA	PRO	SER	GLY	ALA	SER	GLY	LYS	ALA	TRP
6	HIS	GLN	ARG	THR	PRO	ALA	ARG	ALA	GLU	GLN
7	VAL	ALA	LEU	GLU	LYS	CYS	GLY	ASP	LYS	THR
8	CYS	LYS	VAL	VAL	SER	ARG	PHE	THR	ARG	CYS
9	GLY	ALA	VAL	ALA	TYR	ASN	GLY	SER	LYS	TYR
10	GLN	GLY	GLY	THR	GLY	LEU	THR	ARG	ARG	ALA
11	ALA	GLU	ASP	ASP	ALA	VAL	ASN	ARG	LEU	GLU
12	GLY	GLY	ARG	ILE	VAL	ASN	TRP	ALA	CYS	ASN

Samples:

sample_1: Rv1813c, [U-15N], 1.0 mM

sample_2: Rv1813c, [U-13C; U-15N], 0.9 mM

sample_3: Rv1813c 0.8 mM

sample_conditions_1: ionic strength: 150 mM; pH: 5.6; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HNCACO	sample_2	isotropic	sample_conditions_1
2D NOESY	sample_3	isotropic	sample_conditions_1
2D TOCSY	sample_3	isotropic	sample_conditions_1
2D DQF-COSY	sample_3	isotropic	sample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

CINDY, Padilla - chemical shift assignment

Gifa, Delsuc - peak picking

NMR spectrometers:

Bruker AVANCE III 700 MHz

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

1	GLY	PRO	HIS	MET	PRO	THR	VAL	ASP	ALA	HIS
2	LEU	ALA	ASN	GLY	SER	MET	SER	GLU	VAL	MET
3	MET	SER	GLU	ILE	ALA	GLY	LEU	PRO	ILE	PRO
4	PRO	ILE	ILE	HIS	TYR	GLY	ALA	ILE	ALA	TYR
5	ALA	PRO	SER	GLY	ALA	SER	GLY	LYS	ALA	TRP
6	HIS	GLN	ARG	THR	PRO	ALA	ARG	ALA	GLU	GLN
7	VAL	ALA	LEU	GLU	LYS	CYS	GLY	ASP	LYS	THR
8	CYS	LYS	VAL	VAL	SER	ARG	PHE	THR	ARG	CYS
9	GLY	ALA	VAL	ALA	TYR	ASN	GLY	SER	LYS	TYR
10	GLN	GLY	GLY	THR	GLY	LEU	THR	ARG	ARG	ALA
11	ALA	GLU	ASP	ASP	ALA	VAL	ASN	ARG	LEU	GLU
12	GLY	GLY	ARG	ILE	VAL	ASN	TRP	ALA	CYS	ASN

1	GLY	PRO	HIS	MET	PRO	THR	VAL	ASP	ALA	HIS
2	LEU	ALA	ASN	GLY	SER	MET	SER	GLU	VAL	MET
3	MET	SER	GLU	ILE	ALA	GLY	LEU	PRO	ILE	PRO
4	PRO	ILE	ILE	HIS	TYR	GLY	ALA	ILE	ALA	TYR
5	ALA	PRO	SER	GLY	ALA	SER	GLY	LYS	ALA	TRP
6	HIS	GLN	ARG	THR	PRO	ALA	ARG	ALA	GLU	GLN
7	VAL	ALA	LEU	GLU	LYS	CYS	GLY	ASP	LYS	THR
8	CYS	LYS	VAL	VAL	SER	ARG	PHE	THR	ARG	CYS
9	GLY	ALA	VAL	ALA	TYR	ASN	GLY	SER	LYS	TYR
10	GLN	GLY	GLY	THR	GLY	LEU	THR	ARG	ARG	ALA
11	ALA	GLU	ASP	ASP	ALA	VAL	ASN	ARG	LEU	GLU
12	GLY	GLY	ARG	ILE	VAL	ASN	TRP	ALA	CYS	ASN

1	GLY	PRO	HIS	MET	PRO	THR	VAL	ASP	ALA	HIS
2	LEU	ALA	ASN	GLY	SER	MET	SER	GLU	VAL	MET
3	MET	SER	GLU	ILE	ALA	GLY	LEU	PRO	ILE	PRO
4	PRO	ILE	ILE	HIS	TYR	GLY	ALA	ILE	ALA	TYR
5	ALA	PRO	SER	GLY	ALA	SER	GLY	LYS	ALA	TRP
6	HIS	GLN	ARG	THR	PRO	ALA	ARG	ALA	GLU	GLN
7	VAL	ALA	LEU	GLU	LYS	CYS	GLY	ASP	LYS	THR
8	CYS	LYS	VAL	VAL	SER	ARG	PHE	THR	ARG	CYS
9	GLY	ALA	VAL	ALA	TYR	ASN	GLY	SER	LYS	TYR
10	GLN	GLY	GLY	THR	GLY	LEU	THR	ARG	ARG	ALA
11	ALA	GLU	ASP	ASP	ALA	VAL	ASN	ARG	LEU	GLU
12	GLY	GLY	ARG	ILE	VAL	ASN	TRP	ALA	CYS	ASN