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NMR structure of OmpX in phopspholipid nanodiscs
Authors
Hagn, F.X., Etzkorn, M., Raschle, T., Wagner, G.
Assembly
OmpX in phopspholipid nanodiscs
Entity
1. OmpX in phopspholipid nanodiscs (polymer, Thiol state: not present), 148 monomers, 16382.69 Da Detail

ATSTVTGGYA QSDAQGQMNK MGGFNLKYRY EEDNSPLGVI GSFTYTEKSR TASSGDYNKN QYYGITAGPA YRINDWASIY GVVGVGYGKF QTTEYPTYKH DTSDYGFSYG AGLQFNPMEN VALDFSYEQS RIRSVDVGTW IAGVGYRF


Formula weight
16382.69 Da
Source organism
Escherichia coli
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 96.6 %, Completeness: 40.7 %, Completeness (bb): 74.2 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All40.7 % (680 of 1670)19.3 % (165 of 857)58.7 % (383 of 652)82.0 % (132 of 161)
Backbone74.2 % (653 of 880)46.2 % (144 of 312)89.2 % (378 of 424)91.0 % (131 of 144)
Sidechain13.6 % (125 of 918) 3.7 % (20 of 545)29.2 % (104 of 356) 5.9 % (1 of 17)
Aromatic 0.0 % (0 of 226) 0.0 % (0 of 113) 0.0 % (0 of 111) 0.0 % (0 of 2)
Methyl12.5 % (15 of 120)10.0 % (6 of 60)15.0 % (9 of 60)

1. OmpX

ATSTVTGGYA QSDAQGQMNK MGGFNLKYRY EEDNSPLGVI GSFTYTEKSR TASSGDYNKN QYYGITAGPA YRINDWASIY GVVGVGYGKF QTTEYPTYKH DTSDYGFSYG AGLQFNPMEN VALDFSYEQS RIRSVDVGTW IAGVGYRF

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 6.5


#NameIsotope labelingTypeConcentration
1potassium phosphatenatural abundance20 mM
2sodium chloridenatural abundance50 mM
3EDTA[U-2H]10 mM
4sodium azidenatural abundance0.05 %
5OmpX[U-13C; U-15N; U-2H]0.8 mM
6H2Onatural abundance95 %
7D2Onatural abundance5 %

LACS Plot; CA
Referencing offset: 0.22 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: 0.22 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 1.04 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2M06, Strand ID: A Detail


Release date
2012-12-09
Citation
Optimized phospholipid bilayer nanodiscs facilitate high-resolution structure determination of membrane proteins
Hagn, F., Etzkorn, M., Raschle, T., Wagner, G.
J. Am. Chem. Soc. (2013), 135, 1919-1925, PubMed 23294159 , DOI 10.1021/ja310901f ,
Related entities 1. OmpX in phopspholipid nanodiscs, : 1 : 3 : 6 : 10 entities Detail
Experiments performed 7 experiments Detail
NMR combined restraints 4 contents Detail
Keywords beta barrel, E. Coli, Outer membrane protein X