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BMRB: 15804

2K4M

Solution NMR Structure of M. thermoautotrophicum protein MTH_1000, Northeast Structural Genomics Consortium Target TR8

Authors

Eletsky, A., Sukumaran, D., Semesi, A., Guido, V., Yee, A., Arrowsmith, C., Szyperski, T.

Assembly

TR8 protein

Entity

1. TR8 protein (polymer, Thiol state: all free), 153 monomers, 17252.67 Da Detail

MGSSHHHHHH SSGLVPRGSH MWNDLAVYII RCSGPGTRVV EVGAGRFLYV SDYIRKHSKV DLVLTDIKPS HGGIVRDDIT SPRMEIYRGA ALIYSIRPPA EIHSSLMRVA DAVGARLIIK PLTGEDIVTE RKMKLVNYGR TYFYEYIAEV RSR

Formula weight

17252.67 Da

Source organism

Methanothermobacter thermautotrophicus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.2 %, Completeness: 88.4 %, Completeness (bb): 90.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.4 % (1560 of 1764)	87.7 % (801 of 913)	88.7 % (623 of 702)	91.3 % (136 of 149)
Backbone	90.3 % (816 of 904)	90.7 % (283 of 312)	89.7 % (400 of 446)	91.1 % (133 of 146)
Sidechain	86.9 % (869 of 1000)	86.2 % (518 of 601)	87.9 % (348 of 396)	100.0 % (3 of 3)
Aromatic	68.1 % (98 of 144)	68.1 % (49 of 72)	67.6 % (48 of 71)	100.0 % (1 of 1)
Methyl	100.0 % (182 of 182)	100.0 % (91 of 91)	100.0 % (91 of 91)

1. TR8 protein

MGSSHHHHHH SSGLVPRGSH MWNDLAVYII RCSGPGTRVV EVGAGRFLYV SDYIRKHSKV DLVLTDIKPS HGGIVRDDIT SPRMEIYRGA ALIYSIRPPA EIHSSLMRVA DAVGARLIIK PLTGEDIVTE RKMKLVNYGR TYFYEYIAEV RSR

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	TR8 protein	[U-100% 13C; U-100% 15N]	0.8 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	300 mM
4	benzamidine	natural abundance	1 mM
5	DTT	natural abundance	10 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	TR8 protein	[U-5% 13C; U-100% 15N]	0.8 mM
7	sodium phosphate	natural abundance	10 mM
8	sodium chloride	natural abundance	450 mM
9	benzamidine	natural abundance	1 mM
10	DTT	natural abundance	10 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: 0.05 ppm, Outliers: 1 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: 0.05 ppm, Outliers: 1 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: -0.08 ppm, Outliers: 1 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: 0.35 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K4M, Strand ID: A Detail

Release date

2008-06-22

Citation

Solution NMR Structure of M. thermoautotrophicum protein MTH_1000, Northeast Structural Genomics Consortium Target TR8
Eletsky, A., Sukumaran, D., Semesi, A., Guido, V., Yee, A., Arrowsmith, C., Szyperski, T.
Proteins: Struct. Funct. Genet.

Related entities 1. TR8 protein, : 1 : 1 : 18 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC