BMRB: 30326

NMR solution structure of Enzyme I (nEIt) protein using two 4D-spectra

Authors

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

Assembly

Phosphoenolpyruvate-protein phosphotransferase (E.C.2.7.3.9)

Entity

1. Phosphoenolpyruvate-protein phosphotransferase (E.C.2.7.3.9) (polymer, Thiol state: not present), 248 monomers, 27261.94 Da Detail

MLKGVAASPG IAIGKAFLYT KEKVTINVEK IEESKVEEEI AKFRKALEVT QEEIEKIKEK ALKEFGKEKA EIFEAHLMLA SDPELIEGVE NMIKTELVTA DNAVNKVIEQ NASVMESLND EYLKERAVDL RDVGNRIIEN LLGVKSVNLS DLEEEVVVIA RDLTPSDTAT MKKEMVLGFA TDVGGRTSHT AIMARSLEIP AVVGLGNVTS QVKAGDLVIV DGLEGIVIVN PDEKTVEDYK SKKESYEK

Formula weight

27261.94 Da

Source organism

Caldanaerobacter subterraneus subsp. tengcongensis MB4

Exptl. method

solution NMR

Refine. method

na

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.2 %, Completeness (bb): 86.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	87.2 % (2490 of 2854)	92.4 % (1368 of 1480)	78.5 % (877 of 1117)	95.3 % (245 of 257)
Backbone	86.7 % (1282 of 1478)	98.8 % (500 of 506)	74.1 % (540 of 729)	99.6 % (242 of 243)
Sidechain	89.1 % (1434 of 1609)	89.1 % (868 of 974)	90.7 % (563 of 621)	21.4 % (3 of 14)
Aromatic	25.6 % (23 of 90)	26.7 % (12 of 45)	24.4 % (11 of 45)
Methyl	99.7 % (339 of 340)	99.4 % (169 of 170)	100.0 % (170 of 170)

1. entity 1

MLKGVAASPG IAIGKAFLYT KEKVTINVEK IEESKVEEEI AKFRKALEVT QEEIEKIKEK ALKEFGKEKA EIFEAHLMLA SDPELIEGVE NMIKTELVTA DNAVNKVIEQ NASVMESLND EYLKERAVDL RDVGNRIIEN LLGVKSVNLS DLEEEVVVIA RDLTPSDTAT MKKEMVLGFA TDVGGRTSHT AIMARSLEIP AVVGLGNVTS QVKAGDLVIV DGLEGIVIVN PDEKTVEDYK SKKESYEK

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5, Details 1.8 mM [U-13C; U-15N] Enzyme I (nEIt) protein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Enzyme I (nEIt) protein	[U-13C; U-15N]		1.8 mM
2	sodium phosphate	natural abundance		20 mM
3	NaCl	natural abundance		100 mM

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LACS Plot; CA

Referencing offset: -0.19 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: -0.19 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: -0.04 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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Protein Blocks Logo

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

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Release date

2017-09-12

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. Phosphoenolpyruvate-protein phosphotransferase (E.C.2.7.3.9), : 1 : 75 entities Detail

Experiments performed 3 experiments Detail