BMRB: 5657

NMR structure for VT212

Authors

Shen, Y., Liu, G., Bhaskaran, R., Yee, A., Arrowsmith, C., Szyperski, T.

Assembly

Methanobacterium thermoautotrophicum

Entity

1. Methanobacterium thermoautotrophicum (polymer, Thiol state: all free), 122 monomers, 14161.20 Da Detail

MRERGWSQKK IARELKTTRQ NVSAIERKAM ENIEKSRNTL DFVKSLKSPV RILCRRGDTL DEIIKRLLEE SNKEGIHVIH DSITLAFLIR EKASHRIVHR VVKSDFEIGV TRDGEIIVDL NS

Formula weight

14161.2 Da

Source organism

Methanothermobacter thermautotrophicus

Exptl. method

NMR

Refine. method

TORSION ANGLE DYNAMICS, SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.4 %, Completeness: 82.4 %, Completeness (bb): 83.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	82.4 % (1211 of 1470)	87.9 % (681 of 775)	72.4 % (410 of 566)	93.0 % (120 of 129)
Backbone	83.2 % (607 of 730)	97.2 % (241 of 248)	68.7 % (248 of 361)	97.5 % (118 of 121)
Sidechain	83.5 % (716 of 857)	83.5 % (440 of 527)	85.1 % (274 of 322)	25.0 % (2 of 8)
Aromatic	53.4 % (31 of 58)	75.9 % (22 of 29)	28.6 % (8 of 28)	100.0 % (1 of 1)
Methyl	98.7 % (152 of 154)	100.0 % (77 of 77)	97.4 % (75 of 77)

1. Methanobacterium thermoautotrophicum

MRERGWSQKK IARELKTTRQ NVSAIERKAM ENIEKSRNTL DFVKSLKSPV RILCRRGDTL DEIIKRLLEE SNKEGIHVIH DSITLAFLIR EKASHRIVHR VVKSDFEIGV TRDGEIIVDL NS

Show sample condition

Sample

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Methanobacterium thermoautotrophicum	[U-13C; U-15N]		1 mM
2	NaCl			450 mM
3	DTT			10 mM
4	ZnCl2			20 mM
5	Azide			0.01 %
6	H2O			95 %
7	D2O			5 %

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LACS Plot; CA

Referencing offset: -0.05 ppm, Outliers: 2 Detail

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Chemical shift reference

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

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LACS Plot; CB

Referencing offset: -0.05 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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LACS Plot; HA

Referencing offset: -0.05 ppm, Outliers: 4 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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Protein Blocks Logo

Calculated from 20 models in PDB: 1NR3, Strand ID: A Detail

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Release date

2006-04-05

Citation

NMR structure for VT212
Shen, Y., Liu, G., Bhaskaran, R., Yee, A., Arrowsmith, C., Szyperski, T.

Related entities 1. Methanobacterium thermoautotrophicum, : 1 : 1 : 1 : 12 entities Detail