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Found 1 Document (6.819 seconds)

BMRB: 15651

2K0L

NMR structure of the transmembrane domain of the Outer Membrane Protein A from Klebsiella pneumoniae in DHPC micelles.

Authors

Renault, M., Saurel, O., Gervais, V., Lohr, F., Reat, V., Piotto, M., Milon, A.

Assembly

KpOmpA transmembrane domain

Entity

1. KpOmpA transmembrane domain (polymer, Thiol state: not present), 216 monomers, 23369.57 Da Detail

ARIMKAIFVL NAAPKDNTWY AGGKLGWSQY HDTGFYGNGF QNNNGPTRND QLGAGAFGGY QVNPYLGFEM GYDWLGRMAY KGSVDNGAFK AQGVQLTAKL GYPITDDLDI YTRLGGMVWR ADSKGNYAST GVSRSEHDTG VSPVFAGGVE WAVTRDIATR LEYQWVNNIG DAGTVGTRPD NGMLSLGVSY RFGQEDAAPV VAPAPAPAPE HHHHHH

Formula weight

23369.57 Da

Source organism

Klebsiella pneumoniae

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing, simulated annealing, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 88.4 %, Completeness: 53.2 %, Completeness (bb): 74.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	53.2 % (1275 of 2395)	32.7 % (402 of 1229)	74.3 % (694 of 934)	77.2 % (179 of 232)
Backbone	74.2 % (945 of 1274)	50.7 % (229 of 452)	87.7 % (541 of 617)	85.4 % (175 of 205)
Sidechain	37.7 % (493 of 1306)	22.3 % (173 of 777)	62.7 % (315 of 502)	18.5 % (5 of 27)
Aromatic	2.9 % (8 of 280)	4.3 % (6 of 140)	0.0 % (0 of 134)	33.3 % (2 of 6)
Methyl	80.7 % (163 of 202)	68.3 % (69 of 101)	93.1 % (94 of 101)

1. KpOmpA transmembrane domain

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 1mM protein, 300 mM DHPC, 20 mM NaH2PO4, 100 mM NaCl.

#	Name	Isotope labeling	Concentration
1	KpOmpA transmembrane domain	[U-13C; U-15N; U-2H]	1 mM
2	DHPC		300 mM
3	NaH2PO4		20 mM
4	NaCl		100 mM
5	H2O	natural abundance	90 %
6	D2O		10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 1mM protein, 300 mM DHPC, 20 mM NaH2PO4, 100 mM NaCl.

#	Name	Isotope labeling	Concentration
7	KpOmpA transmembrane domain	[U-13C; U-15N; U-2H]/[L,V,I(delta1)-13CH3]	1 mM
8	DHPC		300 mM
9	NaH2PO4		20 mM
10	NaCl		100 mM
11	H2O	natural abundance	90 %
12	D2O		10 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 1mM protein, 300 mM DHPC(d22), 20 mM NaH2PO4, 100 mM NaCl.

#	Name	Isotope labeling	Concentration
13	KpOmpA transmembrane domain	[U-15N; 10% 13C]	1 mM
14	DHPC		300 mM
15	NaH2PO4		20 mM
16	NaCl		100 mM
17	H2O	natural abundance	90 %
18	D2O		10 %

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 1mM protein, 300 mM DHPC(d22), 20 mM NaH2PO4, 100 mM NaCl.

#	Name	Isotope labeling	Concentration
19	KpOmpA transmembrane domain	[U-13C; U-15N; U-2H]/[L,V,I(delta1)-13CH3]	1 mM
20	DHPC		300 mM
21	NaH2PO4		20 mM
22	NaCl		100 mM
23	H2O	natural abundance	90 %
24	D2O		10 %

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: 0.54 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: 0.54 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: 0.65 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K0L, Strand ID: A Detail

Release date

2008-11-03

Citation

Solution state NMR structure and dynamics of KpOmpA, a 210 residue transmembrane domain possessing a high potential for immunological applications
Renault, M., Saurel, O., Czaplicki, J., Demange, P., Gervais, V., Lohr, F., Reat, V., Piotto, M., Milon, A.
J. Mol. Biol. (2009), 385, 117-130, PubMed 18952100 , DOI 10.1016/j.jmb.2008.10.021 , Abstract

Related entities 1. KpOmpA transmembrane domain, : 1 : 1 : 22 entities Detail

Experiments performed 12 experiments Detail

1 2D [15N,1H]-TROSY

Instrument

Bruker Avance - 900 MHz Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 1mM protein, 300 mM DHPC, 20 mM NaH2PO4, 100 mM NaCl.

#	Name	Isotope labeling	Concentration
1	KpOmpA transmembrane domain	[U-13C; U-15N; U-2H]	1 mM
2	DHPC		300 mM
3	NaH2PO4		20 mM
4	NaCl		100 mM
5	H2O	natural abundance	90 %
6	D2O		10 %

2 3D [15N,1H]-TROSY-HNCACB

Instrument

Bruker Avance - 900 MHz Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 1mM protein, 300 mM DHPC, 20 mM NaH2PO4, 100 mM NaCl.

#	Name	Isotope labeling	Concentration
1	KpOmpA transmembrane domain	[U-13C; U-15N; U-2H]	1 mM
2	DHPC		300 mM
3	NaH2PO4		20 mM
4	NaCl		100 mM
5	H2O	natural abundance	90 %
6	D2O		10 %

3 3D [15N,1H]-TROSY-HN(CO)CACB

Instrument

Bruker Avance - 600 MHz Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 1mM protein, 300 mM DHPC, 20 mM NaH2PO4, 100 mM NaCl.

#	Name	Isotope labeling	Concentration
1	KpOmpA transmembrane domain	[U-13C; U-15N; U-2H]	1 mM
2	DHPC		300 mM
3	NaH2PO4		20 mM
4	NaCl		100 mM
5	H2O	natural abundance	90 %
6	D2O		10 %

4 3D [15N,1H]-TROSY-HNCO

Instrument

Bruker Avance - 700 MHz Three radio-frequency 1H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance probe, z-gradient coil.

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 1mM protein, 300 mM DHPC, 20 mM NaH2PO4, 100 mM NaCl.

#	Name	Isotope labeling	Concentration
1	KpOmpA transmembrane domain	[U-13C; U-15N; U-2H]	1 mM
2	DHPC		300 mM
3	NaH2PO4		20 mM
4	NaCl		100 mM
5	H2O	natural abundance	90 %
6	D2O		10 %

5 3D [15N,1H]-TROSY-HN(CA)CO

Instrument

Bruker Avance - 600 MHz Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 1mM protein, 300 mM DHPC, 20 mM NaH2PO4, 100 mM NaCl.

#	Name	Isotope labeling	Concentration
1	KpOmpA transmembrane domain	[U-13C; U-15N; U-2H]	1 mM
2	DHPC		300 mM
3	NaH2PO4		20 mM
4	NaCl		100 mM
5	H2O	natural abundance	90 %
6	D2O		10 %

6 3D (HNCA)CC-TOCSY-(CA)-[15N,1H]-TROSY

Instrument

Bruker Avance - 800 MHz Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 1mM protein, 300 mM DHPC, 20 mM NaH2PO4, 100 mM NaCl.

#	Name	Isotope labeling	Concentration
1	KpOmpA transmembrane domain	[U-13C; U-15N; U-2H]	1 mM
2	DHPC		300 mM
3	NaH2PO4		20 mM
4	NaCl		100 mM
5	H2O	natural abundance	90 %
6	D2O		10 %

7 3D (H)C(CC)-TOCSY-(CA)-[15N,1H]-TROSY

Instrument

Bruker Avance - 800 MHz Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 1mM protein, 300 mM DHPC, 20 mM NaH2PO4, 100 mM NaCl.

#	Name	Isotope labeling	Concentration
7	KpOmpA transmembrane domain	[U-13C; U-15N; U-2H]/[L,V,I(delta1)-13CH3]	1 mM
8	DHPC		300 mM
9	NaH2PO4		20 mM
10	NaCl		100 mM
11	H2O	natural abundance	90 %
12	D2O		10 %

8 3D H(CCCO)-TOCSY

Instrument

Bruker Avance - 500 MHz Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 1mM protein, 300 mM DHPC, 20 mM NaH2PO4, 100 mM NaCl.

#	Name	Isotope labeling	Concentration
7	KpOmpA transmembrane domain	[U-13C; U-15N; U-2H]/[L,V,I(delta1)-13CH3]	1 mM
8	DHPC		300 mM
9	NaH2PO4		20 mM
10	NaCl		100 mM
11	H2O	natural abundance	90 %
12	D2O		10 %

9 2D [1H,13C]-CT-HSQC

Instrument

Bruker Avance - 700 MHz Three radio-frequency 1H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance probe, z-gradient coil.

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 1mM protein, 300 mM DHPC(d22), 20 mM NaH2PO4, 100 mM NaCl.

#	Name	Isotope labeling	Concentration
13	KpOmpA transmembrane domain	[U-15N; 10% 13C]	1 mM
14	DHPC		300 mM
15	NaH2PO4		20 mM
16	NaCl		100 mM
17	H2O	natural abundance	90 %
18	D2O		10 %

10 4D 15N,15N-separated HMQC-NOESY-TROSY

Instrument

Bruker Avance - 800 MHz Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 1mM protein, 300 mM DHPC, 20 mM NaH2PO4, 100 mM NaCl.

#	Name	Isotope labeling	Concentration
1	KpOmpA transmembrane domain	[U-13C; U-15N; U-2H]	1 mM
2	DHPC		300 mM
3	NaH2PO4		20 mM
4	NaCl		100 mM
5	H2O	natural abundance	90 %
6	D2O		10 %

11 3D 15N,13C-separated HMQC-NOESY-TROSY

Instrument

Bruker Avance - 900 MHz Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 1mM protein, 300 mM DHPC(d22), 20 mM NaH2PO4, 100 mM NaCl.

#	Name	Isotope labeling	Concentration
19	KpOmpA transmembrane domain	[U-13C; U-15N; U-2H]/[L,V,I(delta1)-13CH3]	1 mM
20	DHPC		300 mM
21	NaH2PO4		20 mM
22	NaCl		100 mM
23	H2O	natural abundance	90 %
24	D2O		10 %

12 3D 13C,13C-separated HMQC-NOESY

Instrument

Bruker Avance - 900 MHz Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details 1mM protein, 300 mM DHPC(d22), 20 mM NaH2PO4, 100 mM NaCl.

#	Name	Isotope labeling	Concentration
19	KpOmpA transmembrane domain	[U-13C; U-15N; U-2H]/[L,V,I(delta1)-13CH3]	1 mM
20	DHPC		300 mM
21	NaH2PO4		20 mM
22	NaCl		100 mM
23	H2O	natural abundance	90 %
24	D2O		10 %

nullKeywords 4D NOESY, CC-TOCSY, conformational exchange, membrane protein, methyl protonation, Outer membrane protein A, side-chains assignment, TROSY, DHPC micelles, OMPA, Sidechain

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Found 1 Document (6.819 seconds)

BMRB: 15651

Sample #1

Sample #2

Sample #3

Sample #4

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. KpOmpA transmembrane domain, : 1 : 1 : 22 entities Detail

Experiments performed 12 experiments Detail

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