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BMRB: 17775

2LFR

Solution structure of the chimeric Af1503 HAMP- EnvZ DHp homodimer

Authors

Coles, M., Ferris, H.U., Hulko, M., Martin, J., Lupas, A.N.

Assembly

chimeric Af1503 HAMP- EnvZ DHp homodimer

Entity

1. chimeric Af1503 HAMP- EnvZ DHp homodimer (polymer, Thiol state: all free), 112 monomers, 12709.34 × 2 Da Detail

MSTITRPIIE LSNTADKIAE GNLEAEVPHQ NRADEIGILA KSIERLRRSL KQLADDRTLL MAGVSHDLRT PLTRIRLATE MMSEQDGYLA ESINKDIEEC NAIIEQFIDY LR

Total weight

25418.68 Da

Max. entity weight

12709.34 Da

Exptl. method

solution NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.2 %, Completeness: 92.4 %, Completeness (bb): 95.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.4 % (1196 of 1294)	91.4 % (618 of 676)	93.4 % (467 of 500)	94.1 % (111 of 118)
Backbone	95.0 % (633 of 666)	95.6 % (215 of 225)	95.2 % (316 of 332)	93.6 % (102 of 109)
Sidechain	90.8 % (668 of 736)	89.4 % (403 of 451)	92.8 % (256 of 276)	100.0 % (9 of 9)
Aromatic	64.7 % (22 of 34)	100.0 % (17 of 17)	29.4 % (5 of 17)
Methyl	97.3 % (142 of 146)	97.3 % (71 of 73)	97.3 % (71 of 73)

1. HAMP-DHp

MSTITRPIIE LSNTADKIAE GNLEAEVPHQ NRADEIGILA KSIERLRRSL KQLADDRTLL MAGVSHDLRT PLTRIRLATE MMSEQDGYLA ESINKDIEEC NAIIEQFIDY LR

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.1

#	Name	Isotope labeling	Concentration
1	HAMP-DHp	[U-100% 15N]	0.6 mM
2	phosphate buffer	natural abundance	12 mM
3	sodium chloride	natural abundance	138 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.1

#	Name	Isotope labeling	Concentration
6	HAMP-DHp	[U-100% 13C; U-100% 15N]	0.6 mM
7	phosphate buffer	natural abundance	12 mM
8	sodium chloride	natural abundance	138 mM
9	H2O	natural abundance	90 %
10	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	2.6 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

Referencing offset: 0.13 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	2.6 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

Referencing offset: 0.13 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	2.6 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

Referencing offset: 0.15 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	2.6 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

Referencing offset: -0.16 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 18 models in PDB: 2LFR, Strand ID: A, B Detail

Release date

2011-08-15

Citation

Mechanism of regulation of receptor histidine kinases
Ferris, H.U., Dunin-Horkawicz, S., Hornig, N., Hulko, M., Martin, J., Schultz, J.E., Zeth, K., Lupas, A.N., Coles, M.
Structure (2012), 20, 56-66, PubMed 22244755 , DOI 10.1016/j.str.2011.11.014 , Abstract

Related entities 1. chimeric Af1503 HAMP- EnvZ DHp homodimer, : 1 : 7 : 62 entities Detail

Experiments performed 12 experiments Detail

1 3D HNCO