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BMRB: 34338

6QWR

Solution NMR structure of outer membrane protein AlkL

Authors

Schubeis, T., Andreas, L.B., Pintacuda, G.

Assembly

Outer membrane protein AlkL

Entity

1. Outer membrane protein AlkL (polymer, Thiol state: not present), 219 monomers, 24062.66 Da Detail

MNENYPAKSA GYNQGDWVAS FNFSKVYVGE ELGDLNVGGG ALPNADVSIG NDTTLTFDIA YFVSSNIAVD FFVGVPARAK FQGEKSISSL GRVSEVDYGP AILSLQYHYD SFERLYPYVG VGVGRVLFFD KTDGALSSFD IKDKWAPAFQ VGLRYDLGNS WMLNSDVRYI PFKTDVTGTL GPVPVSTKIE VDPFILSLGA SYVFKLAAAL EHHHHHHHH

Formula weight

24062.66 Da

Source organism

Pseudomonas oleovorans

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 68.0 %, Completeness: 32.0 %, Completeness (bb): 54.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	32.0 % (803 of 2507)	19.1 % (244 of 1278)	41.8 % (419 of 1003)	61.9 % (140 of 226)
Backbone	54.4 % (704 of 1294)	38.3 % (172 of 449)	61.8 % (393 of 636)	66.5 % (139 of 209)
Sidechain	15.5 % (218 of 1411)	8.7 % (72 of 829)	25.7 % (145 of 565)	5.9 % (1 of 17)
Aromatic	0.0 % (0 of 318)	0.0 % (0 of 159)	0.0 % (0 of 156)	0.0 % (0 of 3)
Methyl	18.3 % (45 of 246)	13.8 % (17 of 123)	22.8 % (28 of 123)

1. entity 1

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details 333 uM [U-13C; U-15N; U-2H] Outer membrane protein AlkL, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Outer membrane protein AlkL	[U-13C; U-15N; U-2H]	333 uM
2	Sodium Phosphate	natural abundance	20 mM
3	glutamate	natural abundance	10 mM
4	arginine	natural abundance	10 mM
5	sodium azide	natural abundance	0.02 %

LACS Plot; CA

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

Referencing offset: 0.29 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: 0.29 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.71 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 6QAM, Strand ID: A Detail

Release date

2020-01-06

Citation

A β-barrel for oil transport through lipid membranes: Dynamic NMR structures of AlkL
Schubeis, T., Le Marchand, T., Daday, C., Kopec, W., Tekwani Movellan, K., Stanek, J., Schwarzer, T.S., Castiglione, K., de Groot, B.L., Pintacuda, G., Andreas, L.B.
Proc. Natl. Acad. Sci. U. S. A. (2020), 117, 21014-21021, PubMed 32817429 , DOI 10.1073/pnas.2002598117 , Abstract

Related entities 1. Outer membrane protein AlkL, : 1 : 1 : 1 : 4 entities Detail

Experiments performed 9 experiments Detail

1 3D HNCO