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BMRB: 18355

2LRA

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

Authors

Tripathi, S., Pulavarti, S., Yadav, R., Jain, A., Pathak, P., Meher, A., Arora, A.

Assembly

Rv0603-SSD

Entity

1. Rv0603-SSD (polymer, Thiol state: not present), 81 monomers, 8228.690 Da Detail

GAMAFDGEDE VTGPDADRAR AAAVQAVPGG TAGEVETETG EGAAAYGVLV TRPDGTRVEV HLDRDFRVLD TEPADGDGGL E

Formula weight

8228.69 Da

Source organism

Mycobacterium tuberculosis

Exptl. method

solution NMR

Refine. method

water refinement

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.7 %, Completeness (bb): 98.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.7 % (777 of 795)	96.5 % (388 of 402)	99.0 % (312 of 315)	98.7 % (77 of 78)
Backbone	98.3 % (470 of 478)	97.1 % (166 of 171)	99.1 % (228 of 230)	98.7 % (76 of 77)
Sidechain	97.4 % (375 of 385)	96.1 % (222 of 231)	99.3 % (152 of 153)	100.0 % (1 of 1)
Aromatic	100.0 % (32 of 32)	100.0 % (16 of 16)	100.0 % (16 of 16)
Methyl	98.9 % (91 of 92)	97.8 % (45 of 46)	100.0 % (46 of 46)

1. Rv0603-SSD

GAMAFDGEDE VTGPDADRAR AAAVQAVPGG TAGEVETETG EGAAAYGVLV TRPDGTRVEV HLDRDFRVLD TEPADGDGGL E

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.01) K, pH 6.5 (±0.01), Details 15N-Labeled Rv0603-SSD

#	Name	Isotope labeling	Concentration
1	Rv0603-SSD	[U-99% 15N]	1 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	sodium azide	natural abundance	0.1 %
5	AEBSF protease inhibitor	natural abundance	1 mM
6	H2O	natural abundance	93 %
7	D2O	natural abundance	7 %

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.01) K, pH 6.5 (±0.01), Details 13C-15N Doible labeled Rv0603-SSD

#	Name	Isotope labeling	Concentration
8	Rv0603-SSD	[U-99% 13C; U-99% 15N]	1 mM
9	sodium phosphate	natural abundance	20 mM
10	sodium chloride	natural abundance	50 mM
11	sodium azide	natural abundance	0.1 %
12	AEBSF protease inhibitor	natural abundance	1 mM
13	H2O	natural abundance	93 %
14	D2O	natural abundance	7 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.01) K, pH 6.5 (±0.01), Details 13C-15N Doible labeled Rv0603-SSD

#	Name	Isotope labeling	Concentration
15	Rv0603-SSD	[U-99% 13C; U-99% 15N]	1 mM
16	sodium phosphate	natural abundance	20 mM
17	sodium chloride	natural abundance	50 mM
18	sodium azide	natural abundance	0.1 %
19	AEBSF protease inhibitor	natural abundance	1 mM
20	D2O	natural abundance	100 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.16 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.16 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 2.54 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2LRA, Strand ID: A Detail

Release date

2013-05-19

Citation

NMR Structure of Signal Sequence Deleted (SSD) Rv0603 Protein from Mycobacterium tuberculosis without N-terminal His-tag
Tripathi, S., Pulavarti, S., Yadav, R., Jain, A., Pathak, P., Meher, A., Arora, A.
J. Mol. Biol.