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BMRB: 15677

2K1E

Solubilization of transmembrane proteins in water: structural studies of a water-soluble analogue of the potassium channel KcsA

Authors

Ma, D., Xu, Y., Tillman, T., Tang, P., Meirovitch, E., Eckenhoff, R., Carnini, A.

Assembly

water-soluble analogue of KcsA

Entity

1. water-soluble analogue of KcsA (polymer, Thiol state: not present), 103 monomers, 11388.49 × 4 Da Detail

SADHEREAQK AEEELQKVLE EASKKAVEAE RGAPGAALIS YPDAIWWSVE TATTVGYGDR YPVTEEGRKV AEQVMKAGIE VFALVTAALA TDFVRREEER RGH

Total weight

45553.96 Da

Max. entity weight

11388.49 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 96.5 %, Completeness (bb): 99.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	96.5 % (1109 of 1149)	99.7 % (592 of 594)	91.6 % (412 of 450)	100.0 % (105 of 105)
Backbone	99.2 % (607 of 612)	100.0 % (210 of 210)	98.3 % (297 of 302)	100.0 % (100 of 100)
Sidechain	94.3 % (597 of 633)	99.5 % (382 of 384)	86.1 % (210 of 244)	100.0 % (5 of 5)
Aromatic	59.2 % (45 of 76)	100.0 % (38 of 38)	13.9 % (5 of 36)	100.0 % (2 of 2)
Methyl	100.0 % (118 of 118)	100.0 % (59 of 59)	100.0 % (59 of 59)

1. WSK3

SADHEREAQK AEEELQKVLE EASKKAVEAE RGAPGAALIS YPDAIWWSVE TATTVGYGDR YPVTEEGRKV AEQVMKAGIE VFALVTAALA TDFVRREEER RGH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 4.5, Details 0.2 mM relative to monomer concentration and 0.3 ml aqueous solution

#	Name	Isotope labeling	Concentration
1	WSK3_15N	[U-15N]	0.2 mM
2	D2O	[U-2H]	55 M
3	DSS	natural abundance	0.2 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 4.5, Details 0.2 mM relative to monomer concentration and 0.3 ml aqueous solution

#	Name	Isotope labeling	Concentration
4	wsk3	[U-13C; U-15N]	0.2 mM
5	D2O	[U-2H]	55 M
6	DSS	natural abundance	0.2 mM

LACS Plot; CA

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

Referencing offset: -0.15 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.15 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.12 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.06 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K1E, Strand ID: A, B, C, D Detail

Release date

2008-11-09

Citation

NMR studies of a channel protein without membranes: structure and dynamics of water-solubilized KcsA
Ma, D., Tillman, T.S., Tang, P., Meirovitch, E., Eckenhoff, R., Carnini, A., Xu, Y.
Proc. Natl. Acad. Sci. U. S. A. (2008), 105, 16537-16542, PubMed 18948596 , DOI 10.1073/pnas.0805501105 , Abstract

Related entities 1. water-soluble analogue of KcsA, : 1 : 1 : 98 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC