BMRB Entry 18355

Name: NMR Structure of Signal Sequence Deleted (SSD) Rv0603 Protein from Mycobacterium tuberculosis without N-terminal His-tag
Published: 2013-05-20

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PDB ID: 2lra
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18355
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR Structure of Signal Sequence Deleted (SSD) Rv0603 Protein from Mycobacterium tuberculosis without N-terminal His-tag

Deposition date:

2012-03-28

Original release date:

2013-05-20

Authors:

Tripathi, Sarita; Pulavarti, S. V. S. R. Krishna; Yadav, Rahul; Jain, Anupam; Pathak, Prem Prakash; Meher, Akshaya Kumar; Arora, Ashish

Citation:

Citation: Tripathi, Sarita; Pulavarti, S. V. S. R. Krishna; Yadav, Rahul; Jain, Anupam; Pathak, Prem Prakash; Meher, Akshaya Kumar; Arora, Ashish. "NMR Structure of Signal Sequence Deleted (SSD) Rv0603 Protein from Mycobacterium tuberculosis without N-terminal His-tag" J. Mol. Biol. ., .-..

Assembly members:

Assembly members:
Rv0603-SSD, polymer, 81 residues, 8235.826 Da.

Natural source:

Natural source: Common Name: Mycobacterium tuberculosis 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-NH6

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Rv0603-SSD: GAMAFDGEDEVTGPDADRAR AAAVQAVPGGTAGEVETETG EGAAAYGVLVTRPDGTRVEV HLDRDFRVLDTEPADGDGGL E

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	308
15N chemical shifts	76
1H chemical shifts	481

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Rv0603-SSD	1

Entities:

Entity 1, Rv0603-SSD 81 residues - 8235.826 Da.

1

GLY

ALA

MET

ALA

PHE

ASP

GLY

GLU

ASP

GLU

2

VAL

THR

GLY

PRO

ASP

ALA

ASP

ARG

ALA

ARG

3

ALA

VAL

GLN

ALA

VAL

PRO

GLY

4

THR

ALA

GLY

GLU

VAL

GLU

THR

GLU

THR

GLY

5

GLU

GLY

ALA

TYR

GLY

VAL

LEU

VAL

6

THR

ARG

PRO

ASP

GLY

THR

ARG

VAL

GLU

VAL

7

HIS

LEU

ASP

ARG

ASP

PHE

ARG

VAL

LEU

ASP

8

THR

GLU

PRO

ALA

ASP

GLY

ASP

GLY

LEU

9

GLU

Samples:

sample_1: Rv0603-SSD, [U-99% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.1%; AEBSF protease inhibitor 1 mM; H2O 93%; D2O 7%

sample_2: Rv0603-SSD, [U-99% 13C; U-99% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.1%; AEBSF protease inhibitor 1 mM; H2O 93%; D2O 7%

sample_3: Rv0603-SSD, [U-99% 13C; U-99% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.1%; AEBSF protease inhibitor 1 mM; D2O 100%

sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HN(CO)CA	sample_2	isotropic	sample_conditions_1
3D H(CCO)NH	sample_2	isotropic	sample_conditions_1
3D C(CO)NH	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_3	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_3	isotropic	sample_conditions_1
2D CB(CGCD)HD	sample_2	isotropic	sample_conditions_1
2D CB(CGCE)HE	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY aromatic	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_3	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_3	isotropic	sample_conditions_1

Software:

Cyana3.0, Guntert, Mumenthaler and Wuthrich - structure solution

PSVS v1.4, Bhattacharya and Montelione - validation of structure quality

NMR spectrometers:

Varian INOVA 600 MHz

PDB	2KGY 2LRA
DBJ	BAH24912 BAL64478 BAQ04491
EMBL	CAL70634 CCC63207 CCE36143 CCG10466 CCP43342
GB	ABQ72334 ABR04957 ACT23643 AEB02743 AEJ45755
REF	NP_215117 WP_003403164 WP_016721382 WP_024456667 WP_031707638