Solution Structure of the Dysferlin C2A Domain in its Calcium-bound State
GSGGGGGMLR VFILYAENVH TPDTDISDAY CSAVFAGVKK RTKVIKNSVN PVWNEGFEWD LKGIPLDQGS ELHVVVKDHE TMGRNRFLGE AKVPLREVLA TPSLSASFNA PLLDTKKQPT GASLVLQVSY TPLPGAVL
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 82.3 % (1289 of 1567) | 87.1 % (701 of 805) | 73.4 % (453 of 617) | 93.1 % (135 of 145) |
Backbone | 80.4 % (651 of 810) | 92.5 % (260 of 281) | 66.5 % (266 of 400) | 96.9 % (125 of 129) |
Sidechain | 85.7 % (755 of 881) | 84.2 % (441 of 524) | 89.1 % (304 of 341) | 62.5 % (10 of 16) |
Aromatic | 60.9 % (67 of 110) | 61.8 % (34 of 55) | 58.5 % (31 of 53) | 100.0 % (2 of 2) |
Methyl | 94.2 % (162 of 172) | 94.2 % (81 of 86) | 94.2 % (81 of 86) |
1. entity 1
GSGGGGGMLR VFILYAENVH TPDTDISDAY CSAVFAGVKK RTKVIKNSVN PVWNEGFEWD LKGIPLDQGS ELHVVVKDHE TMGRNRFLGE AKVPLREVLA TPSLSASFNA PLLDTKKQPT GASLVLQVSY TPLPGAVLSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5, Details 1 mM DSS, 25 mM MES, 150 mM NaCl, 10 mM CaCl2, 1 mM DTT, 0.5 mM [U-13C; U-15N] Protein, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DSS | natural abundance | 1 mM | |
2 | MES | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 150 mM | |
4 | CaCl2 | natural abundance | 10 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | Protein | [U-13C; U-15N] | 0.5 mM |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5, Details 1 mM DSS, 25 mM MES, 150 mM NaCl, 10 mM CaCl2, 1 mM DTT, 0.5 mM [U-13C; U-15N] Protein, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | DSS | natural abundance | 1 mM | |
8 | MES | natural abundance | 25 mM | |
9 | NaCl | natural abundance | 150 mM | |
10 | CaCl2 | natural abundance | 10 mM | |
11 | DTT | natural abundance | 1 mM | |
12 | Protein | [U-13C; U-15N] | 0.5 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5, Details 1 mM DSS, 25 mM MES, 150 mM NaCl, 10 mM CaCl2, 1 mM DTT, 0.5 mM [U-13C; U-15N] Protein, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DSS | natural abundance | 1 mM | |
2 | MES | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 150 mM | |
4 | CaCl2 | natural abundance | 10 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | Protein | [U-13C; U-15N] | 0.5 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5, Details 1 mM DSS, 25 mM MES, 150 mM NaCl, 10 mM CaCl2, 1 mM DTT, 0.5 mM [U-13C; U-15N] Protein, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | DSS | natural abundance | 1 mM | |
8 | MES | natural abundance | 25 mM | |
9 | NaCl | natural abundance | 150 mM | |
10 | CaCl2 | natural abundance | 10 mM | |
11 | DTT | natural abundance | 1 mM | |
12 | Protein | [U-13C; U-15N] | 0.5 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5, Details 1 mM DSS, 25 mM MES, 150 mM NaCl, 10 mM CaCl2, 1 mM DTT, 0.5 mM [U-13C; U-15N] Protein, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DSS | natural abundance | 1 mM | |
2 | MES | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 150 mM | |
4 | CaCl2 | natural abundance | 10 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | Protein | [U-13C; U-15N] | 0.5 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5, Details 1 mM DSS, 25 mM MES, 150 mM NaCl, 10 mM CaCl2, 1 mM DTT, 0.5 mM [U-13C; U-15N] Protein, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DSS | natural abundance | 1 mM | |
2 | MES | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 150 mM | |
4 | CaCl2 | natural abundance | 10 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | Protein | [U-13C; U-15N] | 0.5 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5, Details 1 mM DSS, 25 mM MES, 150 mM NaCl, 10 mM CaCl2, 1 mM DTT, 0.5 mM [U-13C; U-15N] Protein, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DSS | natural abundance | 1 mM | |
2 | MES | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 150 mM | |
4 | CaCl2 | natural abundance | 10 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | Protein | [U-13C; U-15N] | 0.5 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5, Details 1 mM DSS, 25 mM MES, 150 mM NaCl, 10 mM CaCl2, 1 mM DTT, 0.5 mM [U-13C; U-15N] Protein, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DSS | natural abundance | 1 mM | |
2 | MES | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 150 mM | |
4 | CaCl2 | natural abundance | 10 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | Protein | [U-13C; U-15N] | 0.5 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5, Details 1 mM DSS, 25 mM MES, 150 mM NaCl, 10 mM CaCl2, 1 mM DTT, 0.5 mM [U-13C; U-15N] Protein, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DSS | natural abundance | 1 mM | |
2 | MES | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 150 mM | |
4 | CaCl2 | natural abundance | 10 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | Protein | [U-13C; U-15N] | 0.5 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5, Details 1 mM DSS, 25 mM MES, 150 mM NaCl, 10 mM CaCl2, 1 mM DTT, 0.5 mM [U-13C; U-15N] Protein, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DSS | natural abundance | 1 mM | |
2 | MES | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 150 mM | |
4 | CaCl2 | natural abundance | 10 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | Protein | [U-13C; U-15N] | 0.5 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5, Details 1 mM DSS, 25 mM MES, 150 mM NaCl, 10 mM CaCl2, 1 mM DTT, 0.5 mM [U-13C; U-15N] Protein, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | DSS | natural abundance | 1 mM | |
8 | MES | natural abundance | 25 mM | |
9 | NaCl | natural abundance | 150 mM | |
10 | CaCl2 | natural abundance | 10 mM | |
11 | DTT | natural abundance | 1 mM | |
12 | Protein | [U-13C; U-15N] | 0.5 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5, Details 1 mM DSS, 25 mM MES, 150 mM NaCl, 10 mM CaCl2, 1 mM DTT, 0.5 mM [U-13C; U-15N] Protein, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DSS | natural abundance | 1 mM | |
2 | MES | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 150 mM | |
4 | CaCl2 | natural abundance | 10 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | Protein | [U-13C; U-15N] | 0.5 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5, Details 1 mM DSS, 25 mM MES, 150 mM NaCl, 10 mM CaCl2, 1 mM DTT, 0.5 mM [U-13C; U-15N] Protein, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | DSS | natural abundance | 1 mM | |
8 | MES | natural abundance | 25 mM | |
9 | NaCl | natural abundance | 150 mM | |
10 | CaCl2 | natural abundance | 10 mM | |
11 | DTT | natural abundance | 1 mM | |
12 | Protein | [U-13C; U-15N] | 0.5 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5, Details 1 mM DSS, 25 mM MES, 150 mM NaCl, 10 mM CaCl2, 1 mM DTT, 0.5 mM [U-13C; U-15N] Protein, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DSS | natural abundance | 1 mM | |
2 | MES | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 150 mM | |
4 | CaCl2 | natural abundance | 10 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | Protein | [U-13C; U-15N] | 0.5 mM |
Properties
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneContent subtype: bmr30814_3.str
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GSGGGGGMLRVFILYAENVHTPDTDISDAYCSAVFAGVKKRTKVIKNSVNPVWNEGFEWDLKGIPLDQGSELHVVVKDHETMGRNRFLGEAKVPLREVLA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SGGGGGMLRVFILYAENVHTPDTDISDAYCSAVFAGVKKRTKVIKNSVNPVWNEGFEWDLKGIPLDQGSELHVVVKDHETMGRNRFLGEAKVPLREVLA -------110-------120-------130-------- TPSLSASFNAPLLDTKKQPTGASLVLQVSYTPLPGAVL |||||||||||||||||||||||||||||||||||||| TPSLSASFNAPLLDTKKQPTGASLVLQVSYTPLPGAVL
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
120 | THR | HG1 | 5.88 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 805 | 713 | 88.6 |
13C chemical shifts | 617 | 442 | 71.6 |
15N chemical shifts | 145 | 136 | 93.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 281 | 268 | 95.4 |
13C chemical shifts | 276 | 133 | 48.2 |
15N chemical shifts | 129 | 126 | 97.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 524 | 445 | 84.9 |
13C chemical shifts | 341 | 309 | 90.6 |
15N chemical shifts | 16 | 10 | 62.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 88 | 86 | 97.7 |
13C chemical shifts | 88 | 86 | 97.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 55 | 34 | 61.8 |
13C chemical shifts | 53 | 31 | 58.5 |
15N chemical shifts | 2 | 2 | 100.0 |