BMRB: 7390

Solution model of crosslinked complex of cytochrome c and adrenodoxin

Authors

Xu, X., Reinle, W., Hannemann, F., Konarev, P.V., Svergun, D.I., Bernhardt, R., Ubbink, M.

Assembly

CcV28C AdxL80C

Entity

1. Cytc (polymer, Thiol state: disulfide and other bound), 108 monomers, 12052.61 Da Detail

TEFKAGSAKK GATLFKTRCL QCHTVEKGGP HKCGPNLHGI FGRHSGQAEG YSYTDANIKK NVLWDENNMS EYLTNPKKYI PGTKMAFGGL KKEKDRNDLI TYLKKATE

2. Adx (polymer, Thiol state: disulfide and other bound), 105 monomers, 11623.02 Da Detail

EDKITVHFIN RDGETLTTKG KIGDSLLDVV VQNNLDIDGF GACEGTLACS TCHLIFEQHI FEKLEAITDE ENDMLDCAYG LTDRSRLGCQ ISLTKAMDNM TVRVP

3. HEC (non-polymer), 618.503 Da
4. FES (non-polymer), 175.820 Da

Total weight

24469.953 Da

Max. entity weight

12052.61 Da

Entity Connection

disulfide 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS33:SG	2:CYS77:SG

Source organism

Saccharomyces cerevisiae , Bos taurus

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 41.3 %, Completeness: 15.0 %, Completeness (bb): 28.0 % Detail

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• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
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Polymer type: polypeptide(L)

	Total	1H	15N
All	15.0 % (224 of 1496)	10.8 % (137 of 1270)	38.5 % (87 of 226)
Backbone	28.0 % (182 of 649)	21.5 % (95 of 441)	41.8 % (87 of 208)
Sidechain	5.0 % (42 of 847)	5.1 % (42 of 829)	0.0 % (0 of 18)
Aromatic	0.0 % (0 of 85)	0.0 % (0 of 84)	0.0 % (0 of 1)
Methyl	7.3 % (8 of 109)	7.3 % (8 of 109)

1. Cytc

TEFKAGSAKK GATLFKTRCL QCHTVEKGGP HKCGPNLHGI FGRHSGQAEG YSYTDANIKK NVLWDENNMS EYLTNPKKYI PGTKMAFGGL KKEKDRNDLI TYLKKATE

2. Adx

EDKITVHFIN RDGETLTTKG KIGDSLLDVV VQNNLDIDGF GACEGTLACS TCHLIFEQHI FEKLEAITDE ENDMLDCAYG LTDRSRLGCQ ISLTKAMDNM TVRVP

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 285 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	CcV28C	[U-98% 15N]		0.2 ~ 0.6 mM
2	AdxL80C	natural abundance		0.2 ~ 0.6 mM
3	potassium phosphate	natural abundance		20 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 285 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
4	AdxL80C	[U-98% 15N]		0.2 ~ 0.6 mM
5	CcV28C	natural abundance		0.2 ~ 0.6 mM
6	potassium phosphate	natural abundance		20 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 285 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
7	CcV28C	[U-98% 15N]		1.0 mM
8	DTT	natural abundance		5 mM
9	potassium phosphate	natural abundance		20 mM

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 285 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
10	AdxL80C	[U-98% 15N]		0.5 ~ 0.8 mM
11	DTT	natural abundance		5 mM
12	potassium phosphate	natural abundance		20 mM

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Chem. Shift Complete2

Sequence coverage: 36.2 %, Completeness: 13.9 %, Completeness (bb): 26.2 % Detail

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• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H	15N
All	13.9 % (416 of 2992)	10.0 % (255 of 2540)	35.6 % (161 of 452)
Backbone	26.2 % (340 of 1298)	20.3 % (179 of 882)	38.7 % (161 of 416)
Sidechain	4.5 % (76 of 1694)	4.6 % (76 of 1658)	0.0 % (0 of 36)
Aromatic	0.0 % (0 of 170)	0.0 % (0 of 168)	0.0 % (0 of 2)
Methyl	6.4 % (14 of 218)	6.4 % (14 of 218)

1. Cytc

TEFKAGSAKK GATLFKTRCL QCHTVEKGGP HKCGPNLHGI FGRHSGQAEG YSYTDANIKK NVLWDENNMS EYLTNPKKYI PGTKMAFGGL KKEKDRNDLI TYLKKATE

2. Adx

EDKITVHFIN RDGETLTTKG KIGDSLLDVV VQNNLDIDGF GACEGTLACS TCHLIFEQHI FEKLEAITDE ENDMLDCAYG LTDRSRLGCQ ISLTKAMDNM TVRVP

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 285 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	CcV28C	[U-98% 15N]		0.2 ~ 0.6 mM
2	AdxL80C	natural abundance		0.2 ~ 0.6 mM
3	potassium phosphate	natural abundance		20 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 285 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
4	AdxL80C	[U-98% 15N]		0.2 ~ 0.6 mM
5	CcV28C	natural abundance		0.2 ~ 0.6 mM
6	potassium phosphate	natural abundance		20 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 285 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
7	CcV28C	[U-98% 15N]		1.0 mM
8	DTT	natural abundance		5 mM
9	potassium phosphate	natural abundance		20 mM

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 285 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
10	AdxL80C	[U-98% 15N]		0.5 ~ 0.8 mM
11	DTT	natural abundance		5 mM
12	potassium phosphate	natural abundance		20 mM

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Protein Blocks Logo

Calculated from 10 models in PDB: 2JQR, Strand ID: A, B Detail

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Release date

2008-06-11

Citation 1

Dynamics in a pure encounter complex of two proteins studied by solution scattering and paramagnetic NMR spectroscopy
Xu, X., Reinle, W., Hannemann, F., Konarev, P.V., Svergun, D.I., Bernhardt, R., Ubbink, M.
J. Am. Chem. Soc. (2008), 130, 6395-6403, PubMed 18439013 , DOI 10.1021/ja7101357 , Abstract

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Citation 2

High-resolution refinement of yeast iso-1-cytochrome c and comparisons with other eukaryotic cytochromes c
Louie, G.V., Brayer, G.D.
J. Mol. Biol. (1990), 214, 527-555, PubMed 2166169 , DOI 10.1016/0022-2836(90)90197-T , Abstract

Citation 3

New aspects of electron transfer revealed by the crystal structure of a truncated bovine adrenodoxin, Adx(4-108)
Muller, A., Muller, J.J., Muller, Y.A., Uhlmann, H., Bernhardt, R., Heinemann, U.
Structure (1998), 6, 269-280, PubMed 9551550 , DOI 10.1016/s0969-2126(98)00031-8 , Abstract

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Entries sharing articles BMRB: 2, Swiss-Prot: 2 entries Detail

Related entities 1. Cytc, : 2 : 135 entities Detail

Related entities 2. Adx, : 1 : 7 : 117 entities Detail

Interaction partners 1. Cytc, : 4 interactors Detail

Interaction partners 2. Adx, : 2 interactors Detail

Experiments performed 8 experiments Detail