Search

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. HEME C (non-polymer), 618.503 Da
4. FE2/S2 (INORGANIC) CLUSTER (non-polymer), 175.820 Da
Total weight
24469.953 Da
Max. entity weight
12052.61 Da
Entity Connection
disulfide 1 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS33:SG2: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: 39.0 %, Completeness: 12.7 %, Completeness (bb): 26.4 % Detail

Polymer type: polypeptide(L)

Total1H15N
All12.7 % (191 of 1503) 8.5 % (108 of 1270)35.6 % (83 of 233)
Backbone26.4 % (166 of 629)19.7 % (83 of 421)39.9 % (83 of 208)
Sidechain 2.9 % (25 of 874) 2.9 % (25 of 849) 0.0 % (0 of 25)
Aromatic 0.0 % (0 of 85) 0.0 % (0 of 84) 0.0 % (0 of 1)
Methyl 5.5 % (6 of 109) 5.5 % (6 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

Sample #1

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


#NameIsotope labelingTypeConcentration
1CcV28C[U-98% 15N]0.2 ~ 0.6 mM
2AdxL80Cnatural abundance0.2 ~ 0.6 mM
3potassium phosphatenatural abundance20 mM
Sample #2

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


#NameIsotope labelingTypeConcentration
4AdxL80C[U-98% 15N]0.2 ~ 0.6 mM
5CcV28Cnatural abundance0.2 ~ 0.6 mM
6potassium phosphatenatural abundance20 mM
Sample #3

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


#NameIsotope labelingTypeConcentration
7CcV28C[U-98% 15N]1.0 mM
8DTTnatural abundance5 mM
9potassium phosphatenatural abundance20 mM
Sample #4

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


#NameIsotope labelingTypeConcentration
10AdxL80C[U-98% 15N]0.5 ~ 0.8 mM
11DTTnatural abundance5 mM
12potassium phosphatenatural abundance20 mM

Chem. Shift Complete2
Sequence coverage: 37.6 %, Completeness: 13.3 %, Completeness (bb): 26.2 % Detail

Polymer type: polypeptide(L)

Total1H15N
All13.3 % (400 of 3006) 9.4 % (240 of 2540)34.3 % (160 of 466)
Backbone26.2 % (330 of 1258)20.3 % (171 of 842)38.2 % (159 of 416)
Sidechain 4.1 % (71 of 1748) 4.1 % (70 of 1698) 2.0 % (1 of 50)
Aromatic 0.0 % (0 of 170) 0.0 % (0 of 168) 0.0 % (0 of 2)
Methyl 6.9 % (15 of 218) 6.9 % (15 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

Sample #1

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


#NameIsotope labelingTypeConcentration
1CcV28C[U-98% 15N]0.2 ~ 0.6 mM
2AdxL80Cnatural abundance0.2 ~ 0.6 mM
3potassium phosphatenatural abundance20 mM
Sample #2

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


#NameIsotope labelingTypeConcentration
4AdxL80C[U-98% 15N]0.2 ~ 0.6 mM
5CcV28Cnatural abundance0.2 ~ 0.6 mM
6potassium phosphatenatural abundance20 mM
Sample #3

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


#NameIsotope labelingTypeConcentration
7CcV28C[U-98% 15N]1.0 mM
8DTTnatural abundance5 mM
9potassium phosphatenatural abundance20 mM
Sample #4

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


#NameIsotope labelingTypeConcentration
10AdxL80C[U-98% 15N]0.5 ~ 0.8 mM
11DTTnatural abundance5 mM
12potassium phosphatenatural abundance20 mM

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


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 ,
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 ,
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 ,
Entries sharing articles BMRB: 2, Swiss-Prot: 2 entries Detail
  BMRB: 7390 released on 2008-06-11
    Title Solution model of crosslinked complex of cytochrome c and adrenodoxin
  BMRB: 4566 released on 2000-09-24
    Title Assignment of 1H,13C and 15N signals of Bovine Adrenodoxin
  Swiss-Prot: P00044 released on 1986-07-21
    Title CYC1_YEAST Entity Cytochrome c iso-1
  Swiss-Prot: P00257 released on 1986-07-21
    Title ADX_BOVIN Entity Adrenodoxin, mitochondrial
Related entities 1. Cytc, : 1 : 53 : 146 entities Detail
Related entities 2. Adx, : 1 : 7 : 71 entities Detail
Interaction partners 1. Cytc, : 4 interactors Detail
Interaction partners 2. Adx, : 2 interactors Detail
Experiments performed 8 experiments Detail
Keywords 2Fe2S Ferredoxin, Adrenodoxin, Crosslinked complex, Cytochrome c, Electron transport, encounter complex, Paramagnetic relaxation enhancement, Pseudocontact shift