BMRB: 30325

NMR solution structure of KanY protein (ms6282) using two 4D-spectra

Authors

Evangelidis, T., Nerli, S., Sgourakis, N.G., Tripsianes, K.

Assembly

Uncharacterized protein

Entity

1. Uncharacterized protein (polymer), 145 monomers, 15267.10 Da Detail

MGQVSAVSTV LINAEPAAVL AAISDYQTVR PKILSSHYSG YQVLEGGQGA GTVATWKLQA TKSRVRDVKA TVDVAGHTVI EKDANSSLVS NWTVAPAGTG SSVNLKTTWT GAGGVKGFFE KTFAPLGLRR IQDEVLENLK KHVEG

Formula weight

15267.1 Da

Source organism

Mycolicibacterium smegmatis MC2 155

Exptl. method

solution NMR

Refine. method

na

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 86.7 %, Completeness (bb): 85.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	86.7 % (1384 of 1597)	94.0 % (765 of 814)	74.7 % (469 of 628)	96.8 % (150 of 155)
Backbone	85.7 % (739 of 862)	99.7 % (300 of 301)	71.2 % (299 of 420)	99.3 % (140 of 141)
Sidechain	89.6 % (775 of 865)	90.6 % (465 of 513)	88.8 % (300 of 338)	71.4 % (10 of 14)
Aromatic	27.5 % (28 of 102)	27.5 % (14 of 51)	29.2 % (14 of 48)	0.0 % (0 of 3)
Methyl	99.0 % (192 of 194)	99.0 % (96 of 97)	99.0 % (96 of 97)

1. Uncharacterized protein

MGQVSAVSTV LINAEPAAVL AAISDYQTVR PKILSSHYSG YQVLEGGQGA GTVATWKLQA TKSRVRDVKA TVDVAGHTVI EKDANSSLVS NWTVAPAGTG SSVNLKTTWT GAGGVKGFFE KTFAPLGLRR IQDEVLENLK KHVEG

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.2 mM [U-13C; U-15N] KanY protein ms6282, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
1	KanY protein ms6282	[U-13C; U-15N]		1.2 mM
2	sodium phosphate	natural abundance		50 mM
3	NaCl	natural abundance		150 mM

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LACS Plot; CA

Referencing offset: -0.17 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	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.17 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	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.06 ppm, Outliers: 3 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	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

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Protein Blocks Logo

Calculated from 10 models in PDB: 5WOX, Strand ID: A Detail

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Release date

2017-08-29

Citation

Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra
Evangelidis, T., Nerli, S., Novacek, J., Brereton, A.E., Karplus, P.A., Dotas, R.R., Venditti, V., Sgourakis, N.G., Tripsianes, K.
Nat. Commun. (2018), 9, 384-384, PubMed 29374165 , DOI 10.1038/s41467-017-02592-z , Abstract

Related entities 1. Uncharacterized protein, : 1 : 4 entities Detail

Experiments performed 3 experiments Detail