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BMRB: 7055

2JRC

1H, 13C, and 15N Chemical Shift Assignments for PTH from Mycobacterium tuberculosis H37Rv

Authors

Bal, N.C., Agrawal, H., Meher, A.K., Pulavarti, S.V.S.R.K., Jain, A., Kelly, G., Frenkiel, T.A., Pastore, A., Arora, A.

Assembly

PTH monomer

Entity

1. PTH monomer (polymer, Thiol state: all free), 191 monomers, 20455.26 Da Detail

MAEPLLVVGL GNPGANYART RHNLGFVVAD LLAARLGAKF KAHKRSGAEV ATGRSAGRSL VLAKPRCYMN ESGRQIGPLA KFYSVAPANI IVIHDDLDLE FGRIRLKIGG GEGGHNGLRS VVAALGTKDF QRVRIGIGRP PGRKDPAAFV LENFTPAERA EVPTICEQAA DATELLIEQG MEPAQNRVHA W

Formula weight

20455.26 Da

Source organism

Mycobacterium tuberculosis H37Rv

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.9 %, Completeness: 82.8 %, Completeness (bb): 94.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	82.8 % (1772 of 2140)	78.1 % (868 of 1112)	87.5 % (730 of 834)	89.7 % (174 of 194)
Backbone	94.7 % (1064 of 1124)	91.1 % (358 of 393)	96.7 % (533 of 551)	96.1 % (173 of 180)
Sidechain	73.5 % (871 of 1185)	70.9 % (510 of 719)	79.6 % (360 of 452)	7.1 % (1 of 14)
Aromatic	7.9 % (10 of 126)	7.9 % (5 of 63)	8.1 % (5 of 62)	0.0 % (0 of 1)
Methyl	87.9 % (204 of 232)	84.5 % (98 of 116)	91.4 % (106 of 116)

1. PTH

Show sample condition

Sample

Temperature 303 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	PTH	[U-15N; U-13C]	0.8 mM
2	sodium phosphate		20 mM
3	sodium chloride		50 mM
4	NaN3		0.1 %

LACS Plot; CA

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

Referencing offset: -0.02 ppm, Outliers: 5 Detail

LACS Plot; CB

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

Referencing offset: -0.02 ppm, Outliers: 5 Detail

LACS Plot; HA

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

Referencing offset: -0.04 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.2 ppm, Outliers: 5 Detail

Release date

2006-08-06

Citation

NMR assignment of peptidyl-tRNA hydrolase from Mycobacterium tuberculosis H37Rv
Bal, N.C., Agrawal, H., Meher, A.K., Pulavarti, S.V.S.R.K., Jain, A., Kelly, G., Frenkiel, T.A., Pastore, A., Arora, A.
J. Biomol. NMR (2006), 36 Suppl 1, 53-53, PubMed 16821126 , DOI 10.1007/s10858-006-9031-z , Abstract

Related entities 1. PTH monomer, : 1 : 10 : 193 entities Detail

Experiments performed 10 experiments Detail

1 1H15N HSQC