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BMRB: 25135

2MSV

Solution structure of the MLKL N-terminal domain

Authors

Su, L., Rizo, J., Quade, B., Wang, H., Sun, L., Wang, X.

Assembly

MLKL N-terminal domain

Entity

1. MLKL N-terminal domain (polymer, Thiol state: all free), 166 monomers, 18865.50 Da Detail

GSPGISGGGG GILENLKHII TLGQVIHKRC EEMKYCKKQC RRLGHRVLGL IKPLEMLQDQ GKRSVPSEKL TTAMNRFKAA LEEANGEIEK FSNRSNICRF LTASQDKILF KDVNRKLSDV WKELSLLLQV EQRMPVSPIS QGASWAQEDQ QDADEDRRAF QMLRRD

Formula weight

18865.5 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.0 %, Completeness: 93.2 %, Completeness (bb): 92.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.2 % (1843 of 1978)	92.7 % (973 of 1050)	93.8 % (701 of 747)	93.4 % (169 of 181)
Backbone	92.5 % (912 of 986)	90.9 % (309 of 340)	93.4 % (453 of 485)	93.2 % (150 of 161)
Sidechain	94.2 % (1079 of 1145)	93.5 % (664 of 710)	95.4 % (396 of 415)	95.0 % (19 of 20)
Aromatic	91.5 % (86 of 94)	93.6 % (44 of 47)	88.9 % (40 of 45)	100.0 % (2 of 2)
Methyl	97.6 % (162 of 166)	97.6 % (81 of 83)	97.6 % (81 of 83)

1. entity

GSPGISGGGG GILENLKHII TLGQVIHKRC EEMKYCKKQC RRLGHRVLGL IKPLEMLQDQ GKRSVPSEKL TTAMNRFKAA LEEANGEIEK FSNRSNICRF LTASQDKILF KDVNRKLSDV WKELSLLLQV EQRMPVSPIS QGASWAQEDQ QDADEDRRAF QMLRRD

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±.1)

#	Name	Isotope labeling	Concentration
1	entity	[U-99% 13C; U-99% 15N]	1.5 (±0.1) mM
2	HEPES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	TCEP	natural abundance	2 (±0.1) mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±.1)

#	Name	Isotope labeling	Concentration
7	entity	[U-99% 15N]	1.5 (±0.1) mM
8	HEPES	natural abundance	20 (±1.0) mM
9	sodium chloride	natural abundance	100 (±5.0) mM
10	TCEP	natural abundance	2 (±0.1) mM
11	D2O	natural abundance	100 %

LACS Plot; CA

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

Referencing offset: -0.25 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.25 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.07 ppm, Outliers: 3 Detail

LACS Plot; CO

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

Referencing offset: -0.29 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2014-09-21

Citation

A plug release mechanism for membrane permeation by MLKL
Su, L., Quade, B., Wang, H., Sun, L., Wang, X., Rizo, J.
Structure (2014), 22, 1489-1500, PubMed 25220470 , DOI 10.1016/j.str.2014.07.014 , Abstract

Related entities 1. MLKL N-terminal domain, : 1 : 1 : 16 entities Detail

Interaction partners 1. MLKL N-terminal domain, : 11 interactors Detail

More details for 11 interactors identified by 5 citations

Experiments performed 17 experiments Detail

1 2D 1H-15N HSQC