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BMRB: 17776

2LFS

Solution structure of the chimeric Af1503 HAMP- EnvZ DHp homodimer; A219F variant

Authors

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

Assembly

chimeric Af1503 HAMP- EnvZ DHp homodimer; A219F variant

Entity

1. chimeric Af1503 HAMP- EnvZ DHp homodimer; A219F variant (polymer, Thiol state: all free), 112 monomers, 12785.44 × 2 Da Detail

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

Total weight

25570.88 Da

Max. entity weight

12785.44 Da

Exptl. method

solution NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.0 %, Completeness: 78.5 %, Completeness (bb): 85.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	78.5 % (1025 of 1305)	77.1 % (526 of 682)	78.6 % (397 of 505)	86.4 % (102 of 118)
Backbone	85.0 % (566 of 666)	85.3 % (192 of 225)	84.3 % (280 of 332)	86.2 % (94 of 109)
Sidechain	74.2 % (554 of 747)	73.1 % (334 of 457)	75.4 % (212 of 281)	88.9 % (8 of 9)
Aromatic	38.6 % (17 of 44)	77.3 % (17 of 22)	0.0 % (0 of 22)
Methyl	81.3 % (117 of 144)	79.2 % (57 of 72)	83.3 % (60 of 72)

1. HAMP-DHpF

MSTITRPIIE LSNTFDKIAE 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-DHpF	[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-DHpF	[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: 0.07 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: 0.07 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: 0.09 ppm, Outliers: 1 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: -0.38 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 19 models in PDB: 2LFS, 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; A219F variant, : 1 : 3 : 4 : 56 entities Detail

Experiments performed 13 experiments Detail

1 3D HNCO