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BMRB: 25732

2N5U

Solution structure of the cyanobacterial cytochrome b6f complex subunit PetP

Authors

Veit, S., Ikegami, T., Roegner, M.

Assembly

PetP

Entity

1. PetP (polymer, Thiol state: all free), 79 monomers, 8905.010 Da Detail

MASWSHPQFE KIEGRMDVGQ KVRVCRIRDR VAQDIIQKLG QVGQITGFKM TDGSGVGVIV TFDDRSSTWF FEDEVEVVG

Formula weight

8905.01 Da

Source organism

Thermosynechococcus elongatus BP-1

Exptl. method

Refine. method

simulated annealing, refinement in explicit water

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.3 %, Completeness (bb): 96.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.3 % (874 of 917)	93.1 % (443 of 476)	98.0 % (348 of 355)	96.5 % (83 of 86)
Backbone	96.4 % (455 of 472)	94.6 % (157 of 166)	97.8 % (223 of 228)	96.2 % (75 of 78)
Sidechain	94.8 % (488 of 515)	92.3 % (286 of 310)	98.5 % (194 of 197)	100.0 % (8 of 8)
Aromatic	100.0 % (78 of 78)	100.0 % (39 of 39)	100.0 % (37 of 37)	100.0 % (2 of 2)
Methyl	98.8 % (83 of 84)	97.6 % (41 of 42)	100.0 % (42 of 42)

1. PetP

MASWSHPQFE KIEGRMDVGQ KVRVCRIRDR VAQDIIQKLG QVGQITGFKM TDGSGVGVIV TFDDRSSTWF FEDEVEVVG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

LACS Plot; CA

Referencing offset: -0.18 ppm, Outliers: 3 Detail

LACS Plot; CB

Referencing offset: -0.18 ppm, Outliers: 3 Detail

LACS Plot; HA

Referencing offset: -0.07 ppm, Outliers: 2 Detail

LACS Plot; CO

Referencing offset: 0.25 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2N5U, Strand ID: A Detail

Release date

2016-04-11

Citation

The cyanobacterial cytochrome b₆f subunit PetP adopts an SH3 fold in solution
Veit, S., Nagadoi, A., Rogner, M., Rexroth, S., Stoll, R., Ikegami, T.
Biochim. Biophys. Acta (2016), 1857, 705-714, PubMed 27033306 , DOI 10.1016/j.bbabio.2016.03.023 , Abstract

Related entities 1. PetP, : 1 : 79 entities Detail

Experiments performed 19 experiments Detail

1 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 950 MHz 3D 1H-15N NOESY, 3D 1H-13C NOESY alliphatic

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

2 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 800 MHz 3D 1H-13C NOESY aromatic

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

3 3D 1H-15N NOESY

Instrument

Bruker Avance - 950 MHz 3D 1H-15N NOESY, 3D 1H-13C NOESY alliphatic

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

4 2D 1H-15N HSQC

Instrument

Bruker DRX-400 - 400 MHz 2D 1H-13C HSQC, 3D CBCA(CO)NH, 3D HNCACB, 3D HN(CA)CO

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

5 2D 1H-13C HSQC aliphatic

Instrument

Bruker DRX-600 - 600 MHz 2D 1H-13C HSQC

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

6 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 800 MHz 3D 1H-13C NOESY aromatic

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

7 2D 1H-13C HSQC aliphatic

Instrument

Bruker DRX-600 - 600 MHz 2D 1H-13C HSQC

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

8 2D 1H-13C HSQC aromatic

Instrument

Bruker DRX-600 - 600 MHz 2D 1H-13C HSQC

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

9 2D 1H-1H NOESY

Instrument

Bruker DRX-600 - 600 MHz 2D 1H-13C HSQC

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

10 3D CBCA(CO)NH

Instrument

Bruker DRX-400 - 400 MHz 2D 1H-13C HSQC, 3D CBCA(CO)NH, 3D HNCACB, 3D HN(CA)CO

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

11 3D C(CO)NH

Instrument

Bruker DRX-600 - 600 MHz 2D 1H-13C HSQC

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

12 3D HNCO

Instrument

Bruker DRX-400 - 400 MHz 2D 1H-13C HSQC, 3D CBCA(CO)NH, 3D HNCACB, 3D HN(CA)CO

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

13 3D HNCA

Instrument

Bruker Avance - 950 MHz 3D 1H-15N NOESY, 3D 1H-13C NOESY alliphatic

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

14 3D HNCACB

Instrument

Bruker DRX-400 - 400 MHz 2D 1H-13C HSQC, 3D CBCA(CO)NH, 3D HNCACB, 3D HN(CA)CO

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

15 3D HBHA(CO)NH

Instrument

Bruker Avance - 950 MHz 3D 1H-15N NOESY, 3D 1H-13C NOESY alliphatic

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

16 3D HN(CA)CO

Instrument

Bruker DRX-400 - 400 MHz 2D 1H-13C HSQC, 3D CBCA(CO)NH, 3D HNCACB, 3D HN(CA)CO

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

17 3D H(CCO)NH

Instrument

Bruker DRX-600 - 600 MHz 2D 1H-13C HSQC

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

18 3D HCCH-TOCSY

Instrument

Bruker Avance - 800 MHz 3D 1H-13C NOESY aromatic

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

19 3D HCCH-COSY

Instrument

Bruker Avance - 950 MHz 3D 1H-15N NOESY, 3D 1H-13C NOESY alliphatic

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	PetP	[U-13C; U-15N]	protein	0.1 ~ 0.5 mM
2	sodium phosphate	natural abundance	buffer	20 mM
3	DTT	[U-2H]		10 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

nullKeywords PetP, SH3 domain, Thermosynechococcus elongatus, cyanobacteria, cytochrome b6f complex, photosynthesis