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BMRB: 15063

2JMU

NMR structure of the mouse thiamine triphosphatase

Authors

Song, J., Markley, J.L.

Assembly

ThTPase mouse

Entity

1. ThTPase mouse (polymer, Thiol state: all free), 224 monomers, 24219.87 Da Detail

SAQGLIEVER KFAPGPDTEE RLQELGATLE HRVTFRDTYY DTSELSLMLS DHWLRQREGS GWELKCPGVT GVSGPHNEYV EVTSEAAIVA QLFELLGSGE QKPAGVAAVL GSLKLQEVAS FITTRSSWKL ALSGAHGQEP QLTIDLDSAD FGYAVGEVEA MVHEKAEVPA ALEKIITVSS MLGVPAQEEA PAKLMVYLQR FRPLDYQRLL EAASSGEATG DSAS

Formula weight

24219.87 Da

Source organism

Mus musculus

Exptl. method

solution NMR

Refine. method

torsion angle dynamics,simulated annealing,distance geometry

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 99.6 %, Completeness: 88.7 %, Completeness (bb): 96.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.7 % (2213 of 2494)	87.1 % (1118 of 1283)	88.9 % (873 of 982)	96.9 % (222 of 229)
Backbone	96.5 % (1277 of 1324)	96.1 % (439 of 457)	96.2 % (628 of 653)	98.1 % (210 of 214)
Sidechain	82.6 % (1136 of 1375)	82.2 % (679 of 826)	83.3 % (445 of 534)	80.0 % (12 of 15)
Aromatic	58.5 % (96 of 164)	65.9 % (54 of 82)	49.4 % (39 of 79)	100.0 % (3 of 3)
Methyl	91.5 % (247 of 270)	91.9 % (124 of 135)	91.1 % (123 of 135)

1. ThTPase MOUSE

Show sample condition

Sample

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 10 mM MOPS,100mM NaCl, 1.0 mM 13C,15N-LABELED ThTPase_MOUSE

#	Name	Isotope labeling	Concentration
1	ThTPase_MOUSE	[U-100% 13C; U-100% 15N]	1.0 mM
2	MOPS	natural abundance	10 mM
3	NaCl	natural abundance	100 mM

LACS Plot; CA

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

Referencing offset: -0.22 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: -0.22 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: -0.12 ppm, Outliers: 4 Detail

LACS Plot; CO

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

Referencing offset: 0.0 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2JMU, Strand ID: A Detail

Release date

2015-04-22

Citation

Structural basis for the catalytic mechanism of mammalian 25-kDa thiamine triphosphatase
Song, J., Bettendorff, L., Tonelli, M., Markley, J.L.
J. Biol. Chem. (2008), 283, 10939-10948, PubMed 18276586 , DOI 10.1074/jbc.M709675200 , Abstract

Related entities 1. ThTPase mouse, : 1 : 4 : 9 entities Detail

Interaction partners 1. ThTPase mouse, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 10 experiments Detail

1 1H,15N-HSQC