BMRB: 7226

Solution NMR Structure of Conserved protein MTH1368, Northeast Structural Genomics Consortium Target TT821A

Authors

Liu, G., Lin, Y., Parish, D., Shen, Y., Sukumaran, D., Yee, A., Semesi, A., Arrowsmith, C., Szyperski, T.

Assembly

Conserved protein MTH1368

Entity

1. Conserved protein MTH1368 (polymer, Thiol state: not present), 125 monomers, 13384.75 Da Detail

MGSSHHHHHH SSGRENLYFQ GHQPDGVQID SVVPGSPASK VLTPGLVIES INGMPTSNLT TYSAALKTIS VGEVINITTD QGTFHLKTGR NPNNSSRAYM GIRTSNHLRV RDSVASVLGD TLPFA

Formula weight

13384.75 Da

Source organism

Methanothermobacter thermautotrophicus

Exptl. method

NMR

Refine. method

simulated annealing, molecular dynamics, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 89.6 %, Completeness: 78.6 %, Completeness (bb): 73.5 % Detail

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• NMR-STAR v3.1 (partial)
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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	78.6 % (1073 of 1366)	85.4 % (599 of 701)	68.4 % (366 of 535)	83.1 % (108 of 130)
Backbone	73.5 % (541 of 736)	84.7 % (216 of 255)	62.8 % (228 of 363)	82.2 % (97 of 118)
Sidechain	84.5 % (628 of 743)	85.9 % (383 of 446)	82.1 % (234 of 285)	91.7 % (11 of 12)
Aromatic	47.8 % (43 of 90)	62.2 % (28 of 45)	33.3 % (15 of 45)
Methyl	100.0 % (138 of 138)	100.0 % (69 of 69)	100.0 % (69 of 69)

1. Conserved protein MTH1368

MGSSHHHHHH SSGRENLYFQ GHQPDGVQID SVVPGSPASK VLTPGLVIES INGMPTSNLT TYSAALKTIS VGEVINITTD QGTFHLKTGR NPNNSSRAYM GIRTSNHLRV RDSVASVLGD TLPFA

Show sample condition

Sample

Pressure 1 atm, Temperature 288 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Conserved protein MTH1368	[U-15N; U-13C]		0.5 mM
2	TRIS BUFFER			0.0 ~ 0.0 mM
3	NaCl2			200 mM
4	ZnSO4			10 uM
5	NaN3			0.01 %
6	bezamidine			1 mM
7	inhibitor			1 na
8	H2O			93 %
9	D2O			7 %

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LACS Plot; CA

Referencing offset: 0.25 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.25 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.12 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

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

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Release date

2010-03-03

Citation

Solution NMR Structure of Conserved protein MTH1368, Northeast Structural Genomics Consortium Target TT821A
Liu, G., Lin, Y., Parish, D., Shen, Y., Sukumaran, D., Yee, A., Semesi, A., Arrowsmith, C., Szyperski, T.

Related entities 1. Conserved protein MTH1368, : 1 : 2 entities Detail

Experiments performed 5 experiments Detail