BMRB: 30322

NMR solution structure of a-lytic protease using two 4D-spectra

Authors

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

Assembly

Alpha-lytic protease (E.C.3.4.21.12)

Entity

1. Alpha-lytic protease (E.C.3.4.21.12) (polymer), 198 monomers, 19859.98 Da Detail

ANIVGGIEYS INNASLCSVG FSVTRGATKG FVTAGHCGTV NATARIGGAV VGTFAARVFP GNDRAWVSLT SAQTLLPRVA NGSSFVTVRG STEAAVGAAV CRSGRTTGYQ CGTITAKNVT ANYAEGAVRG LTQGNACMGR GDSGGSWITS AGQAQGVMSG GNVQSNGNNC GIPASQRSSL FERLQPILSQ YGLSLVTG

Formula weight

19859.98 Da

Source organism

Lysobacter enzymogenes

Exptl. method

solution NMR

Refine. method

na

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 99.0 %, Completeness: 86.8 %, Completeness (bb): 85.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	86.8 % (1764 of 2032)	93.5 % (962 of 1029)	74.8 % (587 of 785)	98.6 % (215 of 218)
Backbone	85.3 % (1006 of 1180)	96.9 % (411 of 424)	71.9 % (404 of 562)	98.5 % (191 of 194)
Sidechain	90.4 % (920 of 1018)	91.1 % (551 of 605)	88.9 % (346 of 389)	95.8 % (23 of 24)
Aromatic	45.0 % (54 of 120)	46.7 % (28 of 60)	41.4 % (24 of 58)	100.0 % (2 of 2)
Methyl	100.0 % (232 of 232)	100.0 % (116 of 116)	100.0 % (116 of 116)

1. Alpha-lytic protease

ANIVGGIEYS INNASLCSVG FSVTRGATKG FVTAGHCGTV NATARIGGAV VGTFAARVFP GNDRAWVSLT SAQTLLPRVA NGSSFVTVRG STEAAVGAAV CRSGRTTGYQ CGTITAKNVT ANYAEGAVRG LTQGNACMGR GDSGGSWITS AGQAQGVMSG GNVQSNGNNC GIPASQRSSL FERLQPILSQ YGLSLVTG

Show sample condition

Sample

Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 298 K, pH 4.0, Details 2.0 mM [U-13C; U-15N] alpha-lytic protease protein, 92% H2O/8% D2O

#	Name	Isotope labeling	Type	Concentration
1	alpha-lytic protease protein	[U-13C; U-15N]		2.0 mM
2	sodium acetate	natural abundance		10 mM
3	NaCl	natural abundance		50 mM

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LACS Plot; CA

Referencing offset: 0.26 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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LACS Plot; CB

Referencing offset: 0.26 ppm, Outliers: 3 Detail

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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: -0.04 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: 5WOT, 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

Entries sharing articles BMRB: 3 entries Detail

Related entities 1. Alpha-lytic protease (E.C.3.4.21.12), : 1 : 18 : 1 : 28 : 54 entities Detail

Experiments performed 3 experiments Detail