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BMRB: 17848

5WVE

Backbone 1H, 13C, and 15N chemical shift assignments of reduced horse heart cytochrome c

Authors

Volkov, A.N., Van de Water, K., Vanwetswinkel, S., van Nuland, N.A. J.

Assembly

hCc

Entity

1. hCc (polymer, Thiol state: all other bound), 104 monomers, 11701.40 Da Detail

GDVEKGKKIF VQKCAQCHTV EKGGKHKTGP NLHGLFGRKT GQAPGFTYTD ANKNKGITWK EETLMEYLEN PKKYIPGTKM IFAGIKKKTE REDLIAYLKK ATNE

2. HEC (non-polymer), 618.503 Da

Total weight

12319.903 Da

Max. entity weight

11701.4 Da

Entity Connection

na 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS14:SG	2:HEC1:HEC
2	na	sing	1:CYS17:SG	2:HEC1:HEC

Source organism

Equus caballus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 46.8 %, Completeness (bb): 81.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	46.8 % (590 of 1260)	25.9 % (173 of 667)	64.5 % (312 of 484)	96.3 % (105 of 109)
Backbone	81.5 % (502 of 616)	52.3 % (113 of 216)	97.3 % (292 of 300)	97.0 % (97 of 100)
Sidechain	24.5 % (180 of 736)	13.3 % (60 of 451)	40.6 % (112 of 276)	88.9 % (8 of 9)
Aromatic	8.3 % (8 of 96)	10.4 % (5 of 48)	6.4 % (3 of 47)	0.0 % (0 of 1)
Methyl	14.1 % (13 of 92)	6.5 % (3 of 46)	21.7 % (10 of 46)

1. hCc

GDVEKGKKIF VQKCAQCHTV EKGGKHKTGP NLHGLFGRKT GQAPGFTYTD ANKNKGITWK EETLMEYLEN PKKYIPGTKM IFAGIKKKTE REDLIAYLKK ATNE

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	hCc	[U-100% 13C; U-100% 15N]	1 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	H2O	natural abundance	95 %
5	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Concentration
6	hCc	[U-100% 13C; U-100% 15N]	1 mM
7	sodium phosphate	natural abundance	20 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %

Chem. Shift Complete2

Sequence coverage: 94.2 %, Completeness: 35.2 %, Completeness (bb): 61.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	35.2 % (887 of 2520)	23.4 % (312 of 1334)	37.6 % (364 of 968)	96.8 % (211 of 218)
Backbone	61.5 % (758 of 1232)	51.9 % (224 of 432)	56.5 % (339 of 600)	97.5 % (195 of 200)
Sidechain	15.9 % (234 of 1472)	9.9 % (89 of 902)	23.4 % (129 of 552)	88.9 % (16 of 18)
Aromatic	4.2 % (8 of 192)	5.2 % (5 of 96)	3.2 % (3 of 94)	0.0 % (0 of 2)
Methyl	8.2 % (15 of 184)	4.3 % (4 of 92)	12.0 % (11 of 92)

1. hCc

GDVEKGKKIF VQKCAQCHTV EKGGKHKTGP NLHGLFGRKT GQAPGFTYTD ANKNKGITWK EETLMEYLEN PKKYIPGTKM IFAGIKKKTE REDLIAYLKK ATNE

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	hCc	[U-100% 13C; U-100% 15N]	1 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	H2O	natural abundance	95 %
5	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Concentration
6	hCc	[U-100% 13C; U-100% 15N]	1 mM
7	sodium phosphate	natural abundance	20 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %

Release date

2012-03-13

Citation

Redox-dependent conformational changes in eukaryotic cytochromes revealed by paramagnetic NMR spectroscopy
Volkov, A.N., Vanwetswinkel, S., Van de Water, K., van Nuland, N.A. J.
J. Biomol. NMR (2012), 52, 245-256, PubMed 22318343 , DOI 10.1007/s10858-012-9607-8 , Abstract

Related entities 1. hCc, : 1 : 30 : 2 : 1 : 206 entities Detail

Interaction partners 1. hCc, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 6 experiments Detail

1 2D 1H-15N HSQC