Solution model of crosslinked complex of cytochrome c and adrenodoxin
TEFKAGSAKK GATLFKTRCL QCHTVEKGGP HKCGPNLHGI FGRHSGQAEG YSYTDANIKK NVLWDENNMS EYLTNPKKYI PGTKMAFGGL KKEKDRNDLI TYLKKATE
EDKITVHFIN RDGETLTTKG KIGDSLLDVV VQNNLDIDGF GACEGTLACS TCHLIFEQHI FEKLEAITDE ENDMLDCAYG LTDRSRLGCQ ISLTKAMDNM TVRVP
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS33:SG | 2:CYS77:SG |
Polymer type: polypeptide(L)
Total | 1H | 15N | |
---|---|---|---|
All | 13.3 % (199 of 1496) | 9.0 % (114 of 1270) | 37.6 % (85 of 226) |
Backbone | 27.6 % (179 of 649) | 21.5 % (95 of 441) | 40.4 % (84 of 208) |
Sidechain | 2.4 % (20 of 847) | 2.3 % (19 of 829) | 5.6 % (1 of 18) |
Aromatic | 0.0 % (0 of 85) | 0.0 % (0 of 84) | 0.0 % (0 of 1) |
Methyl | 2.8 % (3 of 109) | 2.8 % (3 of 109) |
1. Cytc
TEFKAGSAKK GATLFKTRCL QCHTVEKGGP HKCGPNLHGI FGRHSGQAEG YSYTDANIKK NVLWDENNMS EYLTNPKKYI PGTKMAFGGL KKEKDRNDLI TYLKKATE2. Adx
EDKITVHFIN RDGETLTTKG KIGDSLLDVV VQNNLDIDGF GACEGTLACS TCHLIFEQHI FEKLEAITDE ENDMLDCAYG LTDRSRLGCQ ISLTKAMDNM TVRVPSolvent 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 |
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 |
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 |
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 |
Polymer type: polypeptide(L)
Total | 1H | 15N | |
---|---|---|---|
All | 11.9 % (357 of 2992) | 7.9 % (200 of 2540) | 34.7 % (157 of 452) |
Backbone | 25.3 % (328 of 1298) | 19.5 % (172 of 882) | 37.5 % (156 of 416) |
Sidechain | 1.7 % (29 of 1694) | 1.7 % (28 of 1658) | 2.8 % (1 of 36) |
Aromatic | 0.0 % (0 of 170) | 0.0 % (0 of 168) | 0.0 % (0 of 2) |
Methyl | 2.8 % (6 of 218) | 2.8 % (6 of 218) |
1. Cytc
TEFKAGSAKK GATLFKTRCL QCHTVEKGGP HKCGPNLHGI FGRHSGQAEG YSYTDANIKK NVLWDENNMS EYLTNPKKYI PGTKMAFGGL KKEKDRNDLI TYLKKATE2. Adx
EDKITVHFIN RDGETLTTKG KIGDSLLDVV VQNNLDIDGF GACEGTLACS TCHLIFEQHI FEKLEAITDE ENDMLDCAYG LTDRSRLGCQ ISLTKAMDNM TVRVPSolvent 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 |
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 |
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 |
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 |