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BMRB: 34618

7O9U

Solution structure of oxidized cytochrome c552 from Thioalkalivibrio paradoxus

Authors

Britikov, V.V., Britikova, E.V., Altukhov, D.A., Timofeev, V.I., Dergousova, N.I., Rakitina, T.V., Tikhonova, T.V., Usanov, S.A., Popov, V.O., Bocharov, E.V.

Assembly

Cytochrome c552

Entity

1. Cytochrome c552, entity 1 (polymer, Thiol state: all other bound), 153 monomers, 16704.80 Da Detail

MDIGINSDPH PPHHHDHHGH GSGWEVPEAE IHRENPIPPD ARSLDQGGVL YAEHCVRCHG ETLRGDGPDA HDLDPPVADL VEHAPHHSDG DLAYRVRIGR GPMPGFGDAL DERDIWDLVN FMRDRAQGAA LAGTNGHSPD HAAGDHHHGD HHH

2. Cytochrome c552, entity HEC (non-polymer), 618.503 Da

Total weight

17323.305 Da

Max. entity weight

16704.8 Da

Entity Connection

na 2, covalent 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	covalent	sing	1:CYS55:SG	2:HEC1:CAB
2	covalent	sing	1:CYS58:SG	2:HEC1:CAB
3	na	sing	1:HIS59:NE2	2:HEC1:FE
4	na	sing	1:MET103:SD	2:HEC1:FE

Source organism

Thioalkalivibrio paradoxus ARh 1

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 85.0 %, Completeness: 74.3 %, Completeness (bb): 82.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	74.3 % (1212 of 1632)	73.7 % (618 of 838)	73.5 % (468 of 637)	80.3 % (126 of 157)
Backbone	82.4 % (733 of 890)	83.0 % (258 of 311)	81.1 % (357 of 440)	84.9 % (118 of 139)
Sidechain	67.1 % (588 of 876)	68.3 % (360 of 527)	66.5 % (220 of 331)	44.4 % (8 of 18)
Aromatic	11.5 % (17 of 148)	14.9 % (11 of 74)	5.6 % (4 of 72)	100.0 % (2 of 2)
Methyl	100.0 % (120 of 120)	100.0 % (60 of 60)	100.0 % (60 of 60)

1. entity 1

MDIGINSDPH PPHHHDHHGH GSGWEVPEAE IHRENPIPPD ARSLDQGGVL YAEHCVRCHG ETLRGDGPDA HDLDPPVADL VEHAPHHSDG DLAYRVRIGR GPMPGFGDAL DERDIWDLVN FMRDRAQGAA LAGTNGHSPD HAAGDHHHGD HHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details 0.6 mM [U-100% 13C; U-100% 15N] Cytochrome c552, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Cytochrome c552	[U-100% 13C; U-100% 15N]		0.6 mM
2	potassium phosphate buffer	natural abundance		50 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details 0.6 mM Cytochrome c552, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
3	Cytochrome c552	natural abundance		0.6 mM
4	potassium phosphate buffer	natural abundance		50 mM

Release date

2021-04-26

Citation

Unusual Cytochrome c552 from Thioalkalivibrio paradoxus: Solution NMR Structure and Interaction with Thiocyanate Dehydrogenase
Britikov, V.V., Bocharov, E.V., Britikova, E.V., Dergousova, N.I., Kulikova, O.G., Solovieva, A.Y., Shipkov, N.S., Varfolomeeva, L.A., Tikhonova, T.V., Timofeev, V.I., Shtykova, E.V., Altukhov, D.A., Usanov, S.A., Arseniev, A.S., Rakitina, T.V., Popov, V.O.
Int. J. Mol. Sci. (2022), 23, 9969-9969, PubMed 36077365 , DOI 10.3390/ijms23179969 , Abstract

Related entities 1. Cytochrome c552, entity 1, : 1 : 1 : 1 entities Detail

Experiments performed 18 experiments Detail

1 2D 1H-15N HSQC