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BMRB: 19681

2MII

NMR structure of E. coli LpoB

Authors

Egan, A.J.F., Jean, N.L., Koumoutsi, A., Bougault, C.M., Biboy, J., Sassine, J., Solovyova, A.S., Breukink, E., Typas, A., Vollmer, W., Simorre, J.

Assembly

E. coli LpoB

Entity

1. E. coli LpoB (polymer, Thiol state: not present), 197 monomers, 20753.13 Da Detail

GSHMVGQREP APVEEVKPAP EQPAEPQQPV PTVPSVPTIP QQPGPIEHED QTAPPAPHIR HYDWNGAMQP MVSKMLGADG VTAGSVLLVD SVNNRTNGSL NAAEATETLR NALANNGKFT LVSAQQLSMA KQQLGLSPQD SLGTRSKAIG IARNVGAHYV LYSSASGNVN APTLQMQLML VQTGEIIWSG KGAVSQQ

Formula weight

20753.13 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.4 %, Completeness: 87.3 %, Completeness (bb): 90.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.3 % (1896 of 2171)	85.2 % (963 of 1130)	89.2 % (742 of 832)	91.4 % (191 of 209)
Backbone	90.6 % (1037 of 1144)	89.3 % (350 of 392)	90.6 % (520 of 574)	93.8 % (167 of 178)
Sidechain	84.8 % (1023 of 1207)	83.1 % (613 of 738)	88.1 % (386 of 438)	77.4 % (24 of 31)
Aromatic	75.6 % (59 of 78)	74.4 % (29 of 39)	75.7 % (28 of 37)	100.0 % (2 of 2)
Methyl	92.3 % (203 of 220)	90.0 % (99 of 110)	94.5 % (104 of 110)

1. LpoB

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 308.000 K, pH 5.000

#	Name	Isotope labeling	Concentration
1	LpoB	[U-100% 13C; U-100% 15N]	0.8 mM
2	CH3COOH/CH3COONa buffer	natural abundance	100.0 mM
3	H2O	natural abundance	90 %
4	D2O	[U-100% 2H]	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.04 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.04 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.0 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.22 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2014-04-10

Citation

Solution NMR assignment of LpoB, an outer-membrane anchored Penicillin-Binding Protein activator from Escherichia coli
Jean, N.L., Bougault, C.M., Egan, A.J.F., Vollmer, W., Simorre, J.
Biomol. NMR Assign. (2015), 9, 123-127, PubMed 24691651 , DOI 10.1007/s12104-014-9557-z , Abstract

Related entities 1. E. coli LpoB, : 1 : 2 : 9 entities Detail

Experiments performed 20 experiments Detail

1 2D 1H-15N HSQC