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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)

Total1H13C15N
All82.8 % (1772 of 2140)78.1 % (868 of 1112)87.5 % (730 of 834)89.7 % (174 of 194)
Backbone94.7 % (1064 of 1124)91.1 % (358 of 393)96.7 % (533 of 551)96.1 % (173 of 180)
Sidechain73.5 % (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)
Methyl87.9 % (204 of 232)84.5 % (98 of 116)91.4 % (106 of 116)

1. PTH

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

Sample

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


#NameIsotope labelingTypeConcentration
1PTH[U-15N; U-13C]0.8 mM
2sodium phosphate20 mM
3sodium chloride50 mM
4NaN30.1 %

LACS Plot; CA
Referencing offset: -0.02 ppm, Outliers: 5 Detail
LACS Plot; CB
Referencing offset: -0.02 ppm, Outliers: 5 Detail
LACS Plot; HA
Referencing offset: -0.04 ppm, Outliers: 1 Detail
LACS Plot; CO
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 ,
Related entities 1. PTH monomer, : 1 : 10 : 193 entities Detail
Experiments performed 10 experiments Detail
Chemical shift validation 3 contents Detail
Keywords PTH, Mycobacterium tuberculosis H37Rv, peptidyl-tRNA hydrolase