13C,15N chemical shifts of human Aquaporin-1
MASEFKKKLF WRAVVAEFLA TTLFVFISIG SALGFKYPVG NNQTAVQDNV KVSLAFGLSI ATLAQSVGHI SGAHLNPAVT LGLLLSCQIS IFRALMYIIA QCVGAIVATA ILSGITSSLT GNSLGRNDLA DGVNSGQGLG IEIIGTLQLV LCVLATTDRR RRDLGGSAPL AIGLSVALGH LLAIDYTGCG INPARSFGSA VITHNFSNHW IFWVGPFIGG ALAVLIYDFI LAPRSSDLTD RVKVWTSGQV EEYDLDADDI NSRVEMKPKA LEQKLISEED LNSAVDHHHH HH
Polymer type: polypeptide(L)
Total | 13C | 15N | |
---|---|---|---|
All | 60.7 % (979 of 1614) | 59.3 % (773 of 1304) | 66.5 % (206 of 310) |
Backbone | 68.3 % (774 of 1134) | 67.8 % (576 of 849) | 69.5 % (198 of 285) |
Sidechain | 50.7 % (378 of 745) | 51.4 % (370 of 720) | 32.0 % (8 of 25) |
Aromatic | 6.1 % (8 of 131) | 6.3 % (8 of 127) | 0.0 % (0 of 4) |
Methyl | 65.9 % (139 of 211) | 65.9 % (139 of 211) |
1. human aquaporin 1
MASEFKKKLF WRAVVAEFLA TTLFVFISIG SALGFKYPVG NNQTAVQDNV KVSLAFGLSI ATLAQSVGHI SGAHLNPAVT LGLLLSCQIS IFRALMYIIA QCVGAIVATA ILSGITSSLT GNSLGRNDLA DGVNSGQGLG IEIIGTLQLV LCVLATTDRR RRDLGGSAPL AIGLSVALGH LLAIDYTGCG INPARSFGSA VITHNFSNHW IFWVGPFIGG ALAVLIYDFI LAPRSSDLTD RVKVWTSGQV EEYDLDADDI NSRVEMKPKA LEQKLISEED LNSAVDHHHH HHSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human aquaporin 1 | [U-100% 13C; U-100% 15N] | 1:1 % w/w | |
2 | Egg PC/Brain PS | natural abundance | 1:1 % w/w | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human aquaporin 1 | [U-100% 13C; U-100% 15N] | 1:1 % w/w | |
2 | Egg PC/Brain PS | natural abundance | 1:1 % w/w | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human aquaporin 1 | [U-100% 13C; U-100% 15N] | 1:1 % w/w | |
2 | Egg PC/Brain PS | natural abundance | 1:1 % w/w | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human aquaporin 1 | [U-100% 13C; U-100% 15N] | 1:1 % w/w | |
2 | Egg PC/Brain PS | natural abundance | 1:1 % w/w | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human aquaporin 1 | [U-100% 13C; U-100% 15N] | 1:1 % w/w | |
2 | Egg PC/Brain PS | natural abundance | 1:1 % w/w | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human aquaporin 1 | [U-100% 13C; U-100% 15N] | 1:1 % w/w | |
2 | Egg PC/Brain PS | natural abundance | 1:1 % w/w | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Properties
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneContent subtype: bmr26805_3.str
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MASEFKKKLFWRAVVAEFLATTLFVFISIGSALGFKYPVGNNQTAVQDNVKVSLAFGLSIATLAQSVGHISGAHLNPAVTLGLLLSCQISIFRALMYIIA ||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||| |||||||| ............AVVAEFLATTLFVFISIGSALGFKYPV....TAVQDNVKVSLAFGLSIATLAQSVGHISGAHLNPAVTLG..........RALMYIIA --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160-------170-------180-------190-------200 QCVGAIVATAILSGITSSLTGNSLGRNDLADGVNSGQGLGIEIIGTLQLVLCVLATTDRRRRDLGGSAPLAIGLSVALGHLLAIDYTGCGINPARSFGSA |||||||||| |||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||| QCVGAIVATA.LSGITSSLTGNSLGRNDLADGVNSGQGLGIEIIGTLQLVLCVLATTDR......GSAPLAIGLSVALGHLLAIDYTGCGINPARSFGSA -------110-------120-------130-------140-------150-------160-------170-------180-------190-------200 -------210-------220-------230-------240-------250-------260-------270-------280-------290-- VITHNFSNHWIFWVGPFIGGALAVLIYDFILAPRSSDLTDRVKVWTSGQVEEYDLDADDINSRVEMKPKALEQKLISEEDLNSAVDHHHHHH | ||||| ||||||||||||||||| V..HNFSN.WIFWVGPFIGGALAVLI -------210-------220------
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
17 | GLU | CD | 182.601 |
24 | PHE | CG | 137.887 |
26 | PHE | CG | 138.726 |
38 | PRO | N | 134.514 |
47 | GLN | CD | 180.123 |
48 | ASP | CG | 180.628 |
49 | ASN | CG | 175.006 |
51 | LYS | NZ | 33.0 |
65 | GLN | CD | 179.19 |
69 | HIS | CG | 131.818 |
74 | HIS | CG | 135.444 |
74 | HIS | ND1 | 166.156 |
74 | HIS | NE2 | 161.098 |
76 | ASN | CG | 177.956 |
77 | PRO | N | 136.673 |
101 | GLN | CD | 177.297 |
122 | ASN | CG | 175.603 |
126 | ARG | CZ | 159.675 |
126 | ARG | NH1 | 72.854 |
126 | ARG | NH2 | 71.552 |
127 | ASN | CG | 176.466 |
128 | ASP | CG | 178.511 |
134 | ASN | CG | 176.019 |
137 | GLN | CD | 179.903 |
142 | GLU | CD | 179.467 |
148 | GLN | CD | 177.885 |
158 | ASP | CG | 181.693 |
169 | PRO | N | 133.857 |
180 | HIS | CG | 130.363 |
180 | HIS | NE2 | 167.141 |
185 | ASP | CG | 181.326 |
192 | ASN | CG | 178.673 |
193 | PRO | N | 133.598 |
195 | ARG | CZ | 160.491 |
195 | ARG | NH1 | 70.414 |
195 | ARG | NH2 | 69.258 |
205 | ASN | CG | 177.506 |
208 | ASN | CG | 177.903 |
216 | PRO | N | 134.32 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 1304 | 718 | 55.1 |
15N chemical shifts | 321 | 194 | 60.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 584 | 379 | 64.9 |
15N chemical shifts | 285 | 184 | 64.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 720 | 339 | 47.1 |
15N chemical shifts | 36 | 10 | 27.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 214 | 132 | 61.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 127 | 6 | 4.7 |
15N chemical shifts | 4 | 0 | 0.0 |