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BMRB: 25350

2MWQ

Solution structure of PsbQ from spinacia oleracea

Authors

Rathner, P., Mueller, N., Wimmer, R., Chandra, K.

Assembly

PsbQ from spinacia oleracea

Entity

1. PsbQ from spinacia oleracea (polymer, Thiol state: not present), 149 monomers, 16521.55 Da Detail

EARPIVVGPP PPLSGGLPGT ENSDQARDGT LPYTKDRFYL QPLPPTEAAQ RAKVSASEIL NVKQFIDRKA WPSLQNDLRL RASYLRYDLK TVISAKPKDE KKSLQELTSK LFSSIDNLDH AAKIKSPTEA EKYYGQTVSN INEVLAKLG

Formula weight

16521.55 Da

Source organism

Spinacia oleracea

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 89.3 %, Completeness (bb): 96.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.3 % (1566 of 1753)	85.4 % (788 of 923)	94.1 % (640 of 680)	92.0 % (138 of 150)
Backbone	96.9 % (841 of 868)	95.5 % (279 of 292)	97.7 % (430 of 440)	97.1 % (132 of 136)
Sidechain	84.1 % (864 of 1027)	80.7 % (509 of 631)	91.4 % (349 of 382)	42.9 % (6 of 14)
Aromatic	72.3 % (68 of 94)	74.5 % (35 of 47)	71.7 % (33 of 46)	0.0 % (0 of 1)
Methyl	96.4 % (160 of 166)	95.2 % (79 of 83)	97.6 % (81 of 83)

1. PsbQ

EARPIVVGPP PPLSGGLPGT ENSDQARDGT LPYTKDRFYL QPLPPTEAAQ RAKVSASEIL NVKQFIDRKA WPSLQNDLRL RASYLRYDLK TVISAKPKDE KKSLQELTSK LFSSIDNLDH AAKIKSPTEA EKYYGQTVSN INEVLAKLG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	PsbQ	[U-13C; U-15N]	0.8 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	50 uM
4	EDTA	natural abundance	1 mM
5	D2O	[U-100% 2H]	10 %
6	H2O	natural abundance	90 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.0

#	Name	Isotope labeling	Concentration
7	PsbQ	[U-13C; U-15N]	0.8 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium azide	natural abundance	50 uM
10	EDTA	natural abundance	1 mM
11	D2O	[U-100% 2H]	100 %

LACS Plot; CA

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

Referencing offset: 0.0 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: 0.0 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: 0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.36 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2015-07-26

Citation

Solution NMR and molecular dynamics reveal a persistent alpha helix within the dynamic region of PsbQ from photosystem II of higher plants
Rathner, P., Walnerova, A., Hornicakova, M., Wohlschlager, C., Chandra, K., Kohoutova, J., Ettrich, R., Wimmer, R., Mueller, N.
Proteins (2015), 83, 1677-1686, PubMed 26138376 , DOI 10.1002/prot.24853 , Abstract

Related entities 1. PsbQ from spinacia oleracea, : 1 : 4 : 26 entities Detail

Interaction partners 1. PsbQ from spinacia oleracea, : 1 interactors Detail

More details for 1 interactors identified by 1 citations