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BMRB: 16782

2KVO

Solution NMR structure of Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803), Northeast Structural Genomics Consortium Target SgR171

Authors

Yang, Y., Ramelot, T.A., Cort, J.R., Wang, D., Ciccosanti, C., Hamilton, K., Nair, R., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A.

Assembly

Photosystem II reaction center Psb28 protein

Entity

1. Photosystem II reaction center Psb28 protein (polymer, Thiol state: not present), 120 monomers, 13655.27 Da Detail

MAEIQFSKGV AETVVPEVRL SKSKNGQSGM AKFYFLEPTI LAKESTDDIT GMYLIDDEGE IITREVKGKF INGRPTAIEA TVILNSQPEW DRFMRFMERY GAENGLGFSK SELEHHHHHH

Formula weight

13655.27 Da

Source organism

Synechocystis sp.

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 97.5 %, Completeness: 94.0 %, Completeness (bb): 96.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.0 % (1326 of 1411)	93.9 % (690 of 735)	93.7 % (517 of 552)	96.0 % (119 of 124)
Backbone	96.1 % (684 of 712)	95.9 % (236 of 246)	96.3 % (337 of 350)	95.7 % (111 of 116)
Sidechain	92.6 % (749 of 809)	92.8 % (454 of 489)	92.0 % (287 of 312)	100.0 % (8 of 8)
Aromatic	73.8 % (96 of 130)	73.8 % (48 of 65)	73.4 % (47 of 64)	100.0 % (1 of 1)
Methyl	99.1 % (115 of 116)	98.3 % (57 of 58)	100.0 % (58 of 58)

1. Photosystem II reaction center Psb28 protein

MAEIQFSKGV AETVVPEVRL SKSKNGQSGM AKFYFLEPTI LAKESTDDIT GMYLIDDEGE IITREVKGKF INGRPTAIEA TVILNSQPEW DRFMRFMERY GAENGLGFSK SELEHHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.2) mM
5	DTT	natural abundance	10 (±0.5) mM
6	sodium azide	natural abundance	0.02 (±0.001) %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-5% 13C; U-100% 15N]	0.44 (±0.04) mM
10	MES	natural abundance	20 (±1.0) mM
11	sodium chloride	natural abundance	100 (±5.0) mM
12	calcium chloride	natural abundance	5 (±0.2) mM
13	DTT	natural abundance	10 (±0.5) mM
14	sodium azide	natural abundance	0.02 (±0.001) %
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
17	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
18	MES	natural abundance	20 (±1.0) mM
19	sodium chloride	natural abundance	100 (±5.0) mM
20	calcium chloride	natural abundance	5 (±0.2) mM
21	DTT	natural abundance	10 (±0.5) mM
22	sodium azide	natural abundance	0.02 (±0.001) %
23	D2O	natural abundance	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: -0.12 ppm, Outliers: 2 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: -0.12 ppm, Outliers: 2 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: -0.02 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: 0.23 ppm, Outliers: 3 Detail

Protein Blocks Logo

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

Release date

2010-04-20

Citation

Solution NMR structure of photosystem II reaction center protein Psb28 from Synechocystis sp. Strain PCC 6803
Yang, Y., Ramelot, T.A., Cort, J.R., Wang, D., Ciccosanti, C., Hamilton, K., Nair, R., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A.
Proteins (2011), 79, 340-344, PubMed 21058299 , DOI 10.1002/prot.22876 , Abstract

Related entities 1. Photosystem II reaction center Psb28 protein, : 1 : 1 : 69 entities Detail

Interaction partners 1. Photosystem II reaction center Psb28 protein, : 6 interactors Detail

More details for 6 interactors identified by 2 citations

Experiments performed 21 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.2) mM
5	DTT	natural abundance	10 (±0.5) mM
6	sodium azide	natural abundance	0.02 (±0.001) %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

2 2D 1H-13C HSQC_CT

Instrument

Bruker AvanceIII - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-5% 13C; U-100% 15N]	0.44 (±0.04) mM
10	MES	natural abundance	20 (±1.0) mM
11	sodium chloride	natural abundance	100 (±5.0) mM
12	calcium chloride	natural abundance	5 (±0.2) mM
13	DTT	natural abundance	10 (±0.5) mM
14	sodium azide	natural abundance	0.02 (±0.001) %
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

3 3D 1H-15N NOESY

Instrument

Bruker AvanceIII - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.2) mM
5	DTT	natural abundance	10 (±0.5) mM
6	sodium azide	natural abundance	0.02 (±0.001) %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

4 3D 1H-13C NOESY aliphatic

Instrument

Bruker AvanceIII - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.2) mM
5	DTT	natural abundance	10 (±0.5) mM
6	sodium azide	natural abundance	0.02 (±0.001) %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

5 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.2) mM
5	DTT	natural abundance	10 (±0.5) mM
6	sodium azide	natural abundance	0.02 (±0.001) %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

6 3D HNCA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.2) mM
5	DTT	natural abundance	10 (±0.5) mM
6	sodium azide	natural abundance	0.02 (±0.001) %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

7 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.2) mM
5	DTT	natural abundance	10 (±0.5) mM
6	sodium azide	natural abundance	0.02 (±0.001) %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

8 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.2) mM
5	DTT	natural abundance	10 (±0.5) mM
6	sodium azide	natural abundance	0.02 (±0.001) %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

9 3D HN(CO)CA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.2) mM
5	DTT	natural abundance	10 (±0.5) mM
6	sodium azide	natural abundance	0.02 (±0.001) %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

10 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.2) mM
5	DTT	natural abundance	10 (±0.5) mM
6	sodium azide	natural abundance	0.02 (±0.001) %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

11 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.2) mM
5	DTT	natural abundance	10 (±0.5) mM
6	sodium azide	natural abundance	0.02 (±0.001) %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

12 3D C(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.2) mM
5	DTT	natural abundance	10 (±0.5) mM
6	sodium azide	natural abundance	0.02 (±0.001) %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

13 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.2) mM
5	DTT	natural abundance	10 (±0.5) mM
6	sodium azide	natural abundance	0.02 (±0.001) %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

14 3D HCCH-COSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.2) mM
5	DTT	natural abundance	10 (±0.5) mM
6	sodium azide	natural abundance	0.02 (±0.001) %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

15 3D (H)CCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
17	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
18	MES	natural abundance	20 (±1.0) mM
19	sodium chloride	natural abundance	100 (±5.0) mM
20	calcium chloride	natural abundance	5 (±0.2) mM
21	DTT	natural abundance	10 (±0.5) mM
22	sodium azide	natural abundance	0.02 (±0.001) %
23	D2O	natural abundance	100 %

16 4D CC NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
17	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
18	MES	natural abundance	20 (±1.0) mM
19	sodium chloride	natural abundance	100 (±5.0) mM
20	calcium chloride	natural abundance	5 (±0.2) mM
21	DTT	natural abundance	10 (±0.5) mM
22	sodium azide	natural abundance	0.02 (±0.001) %
23	D2O	natural abundance	100 %

17 2D 1H-15N HSQC_swN150ppm

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.2) mM
5	DTT	natural abundance	10 (±0.5) mM
6	sodium azide	natural abundance	0.02 (±0.001) %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

18 2D 1H-13C HSQC_HiRes

Instrument

Bruker AvanceIII - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-5% 13C; U-100% 15N]	0.44 (±0.04) mM
10	MES	natural abundance	20 (±1.0) mM
11	sodium chloride	natural abundance	100 (±5.0) mM
12	calcium chloride	natural abundance	5 (±0.2) mM
13	DTT	natural abundance	10 (±0.5) mM
14	sodium azide	natural abundance	0.02 (±0.001) %
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

19 3D 1H-13C NOESY aromatic

Instrument

Bruker AvanceIII - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.2) mM
5	DTT	natural abundance	10 (±0.5) mM
6	sodium azide	natural abundance	0.02 (±0.001) %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

20 2D 1H-13C HSQC aromatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-5% 13C; U-100% 15N]	0.44 (±0.04) mM
10	MES	natural abundance	20 (±1.0) mM
11	sodium chloride	natural abundance	100 (±5.0) mM
12	calcium chloride	natural abundance	5 (±0.2) mM
13	DTT	natural abundance	10 (±0.5) mM
14	sodium azide	natural abundance	0.02 (±0.001) %
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

21 2D 1H-15N HSQC_NH2

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)	[U-100% 13C; U-100% 15N]	0.58 (±0.06) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.2) mM
5	DTT	natural abundance	10 (±0.5) mM
6	sodium azide	natural abundance	0.02 (±0.001) %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_16782_2kvo.nef
Input source #2: Coordindates	2kvo.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MAEIQFSKGVAETVVPEVRLSKSKNGQSGMAKFYFLEPTILAKESTDDITGMYLIDDEGEIITREVKGKFINGRPTAIEATVILNSQPEWDRFMRFMERY
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MAEIQFSKGVAETVVPEVRLSKSKNGQSGMAKFYFLEPTILAKESTDDITGMYLIDDEGEIITREVKGKFINGRPTAIEATVILNSQPEWDRFMRFMERY

-------110-------120
GAENGLGFSKSELEHHHHHH
||||||||||||||||||||
GAENGLGFSKSELEHHHHHH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	120	0	0	100.0

Content subtype: combined_16782_2kvo.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1329		96.7 (chain: A, length: 120)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	2034 (1)	noe	96.7 (chain: A, length: 120)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	64 (1)	hbond	33.3 (chain: A, length: 120)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	92 (92)	.	47.5 (chain: A, length: 120)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 120, Sequence coverage: 96.7%
- Total number of assignments
  - ¹H chemical shifts: 691
  - ¹³C chemical shifts: 515
  - ¹⁵N chemical shifts: 123
- Completeness of assignments
  - Entity_assemble_ID: A
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
25	ASN	CG	177.3
27	GLN	CD	180.3
63	THR	HG1	6.12
72	ASN	CG	177.8
81	THR	HG1	6.12
85	ASN	CG	176.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	735	689	93.7
¹³C chemical shifts	552	511	92.6
¹⁵N chemical shifts	130	123	94.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	246	236	95.9
¹³C chemical shifts	240	227	94.6
¹⁵N chemical shifts	116	110	94.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	489	453	92.6
¹³C chemical shifts	312	284	91.0
¹⁵N chemical shifts	14	13	92.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	63	61	96.8
¹³C chemical shifts	63	61	96.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	65	46	70.8
¹³C chemical shifts	64	45	70.3
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 120, Sequence coverage: 96.7%
- Total number of restraints: 2028
- Weight of restraints: 1.0 (2028)
- Potential type of restraints: square-well-parabolic (2028)
- Range of distance target values: 2.14, 3.92 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_4
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 120, Sequence coverage: 33.3%
  - Total number of restraints: 64
  - Weight of restraints: 1.0 (64)
  - Potential type of restraints: square-well-parabolic (64)
  - Range of distance target values: 2.0, 3.0 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 120, Sequence coverage: 47.5%
- Total number of restraints: 92
- Total number of restraints per polymer type: 92
- Weight of restraints: 1.0 (92)
- Potential type of restraints: square-well-parabolic (92)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue

Keywords Northeast Structural Genomics Consortium (NESG), Photosystem II reaction center Psb28 protein, Solution NMR, Synechocystis sp.(strain PCC 6803), NMR solution structure, Synechocystis sp. (strain PCC 6803)

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BMRB: 16782

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Chemical shift reference

Chemical shift reference

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Chemical shift reference

Related entities 1. Photosystem II reaction center Psb28 protein, : 1 : 1 : 69 entities Detail

Interaction partners 1. Photosystem II reaction center Psb28 protein, : 6 interactors Detail

Experiments performed 21 experiments Detail

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NMR combined restraints 5 contents Detail