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BMRB: 18853

2MHK

Backbone and side-chain 1H, 13C, 15N NMR assignment of the N-terminal domain of Escherichia coli LpoA

Authors

Jean, N.L.P., Bougault, C., Derouaux, A., Callens, G., Vollmer, W., Simorre, J.

Assembly

LpoA n-ter

Entity

1. LpoA n-ter (polymer, Thiol state: not present), 250 monomers, 28013.18 Da Detail

MGSSHHHHHH SSGLVPRGSH MGTHTPDQST AYMQGTAQAD SAFYLQQMQQ SSDDTRINWQ LLAIRALVKE GKTGQAVELF NQLPQELNDA QRREKTLLAV EIKLAQKDFA GAQNLLAKIT PADLEQNQQA RYWQAKIDAS QGRPSIDLLR ALIAQEPLLG AKEKQQNIDA TWQALSSMTQ EQANTLVINA DENILQGWLD LQRVWFDNRN DPDMMKAGIA DWQKRYPNNP GAKMLPTQLV NVKAFKPAST

Formula weight

28013.18 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.2 %, Completeness: 90.9 %, Completeness (bb): 94.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.9 % (2657 of 2923)	89.7 % (1373 of 1530)	92.3 % (1020 of 1105)	91.7 % (264 of 288)
Backbone	94.7 % (1400 of 1478)	94.6 % (475 of 502)	94.6 % (697 of 737)	95.4 % (228 of 239)
Sidechain	88.3 % (1485 of 1682)	87.4 % (898 of 1028)	91.1 % (551 of 605)	73.5 % (36 of 49)
Aromatic	71.0 % (132 of 186)	68.8 % (64 of 93)	71.3 % (62 of 87)	100.0 % (6 of 6)
Methyl	98.5 % (260 of 264)	98.5 % (130 of 132)	98.5 % (130 of 132)

1. LpoA n-ter

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 323.000 K, pH 4.500

#	Name	Isotope labeling	Concentration
1	LpoA_n-ter	[U-100% 13C; U-100% 15N]	2.0 mM
2	CH3COOH/CH3COONa buffer	natural abundance	100.0 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	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	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -1.11 ppm, Outliers: 1 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	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -1.11 ppm, Outliers: 1 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	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.07 ppm, Outliers: 2 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	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.14 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2014-02-13

Citation

Backbone and side-chain (1)H, (13)C, and (15)N NMR assignments of the N-terminal domain of Escherichia coli LpoA
Jean, N.L., Bougault, C., Derouaux, A., Callens, G., Vollmer, W., Simorre, J.
Biomol. NMR Assign. (2015), 9, 65-69, PubMed 24493340 , DOI 10.1007/s12104-014-9546-2 , Abstract

Related entities 1. LpoA n-ter, : 1 : 1 : 33 entities Detail

Interaction partners 1. LpoA n-ter, : 5 interactors Detail

More details for 5 interactors identified by 3 citations

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC/HMQC