Backbone and side-chain chemical shift assignments of the ribosome-inactivating protein trichobakin (TBK) in solution
DVSFRLSGAT SSSYGVFISN LRKALPYERK LYDIPLLRST LPGSQRYALI HLTNYADETI SVAIDVTNVY VMGYRAGDTS YFFNEASATE AAKYVFKDAK RKVTLPYSGN YERLQIAAGK IRENIPLGLP ALDSAITTLF YYNANSAASA LMVLIQSTSE AARYKFIEQQ IGKRVDKTFL PSLAIISLEN SWSALSKQIQ IASTNNGQFE TPVVLINAQN QRVTITNVDA GVVTSNIALL PNRNNMA
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 89.7 % (2558 of 2852) | 89.3 % (1309 of 1466) | 89.2 % (998 of 1119) | 94.0 % (251 of 267) |
Backbone | 97.0 % (1420 of 1464) | 96.4 % (478 of 496) | 97.5 % (712 of 730) | 96.6 % (230 of 238) |
Sidechain | 84.2 % (1368 of 1624) | 85.7 % (831 of 970) | 82.6 % (516 of 625) | 72.4 % (21 of 29) |
Aromatic | 55.5 % (121 of 218) | 75.2 % (82 of 109) | 35.2 % (38 of 108) | 100.0 % (1 of 1) |
Methyl | 89.9 % (293 of 326) | 90.2 % (147 of 163) | 89.6 % (146 of 163) |
1. trichobakin
DVSFRLSGAT SSSYGVFISN LRKALPYERK LYDIPLLRST LPGSQRYALI HLTNYADETI SVAIDVTNVY VMGYRAGDTS YFFNEASATE AAKYVFKDAK RKVTLPYSGN YERLQIAAGK IRENIPLGLP ALDSAITTLF YYNANSAASA LMVLIQSTSE AARYKFIEQQ IGKRVDKTFL PSLAIISLEN SWSALSKQIQ IASTNNGQFE TPVVLINAQN QRVTITNVDA GVVTSNIALL PNRNNMASolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | trichobakin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate buffer | natural abundance | 50 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TSP | methyl carbons | 0.0 ppm | internal | direct | 0.2514495 |
1H | TSP | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | TSP | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TSP | methyl carbons | 0.0 ppm | internal | direct | 0.2514495 |
1H | TSP | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | TSP | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TSP | methyl carbons | 0.0 ppm | internal | direct | 0.2514495 |
1H | TSP | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | TSP | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TSP | methyl carbons | 0.0 ppm | internal | direct | 0.2514495 |
1H | TSP | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | TSP | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | trichobakin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate buffer | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | trichobakin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate buffer | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | trichobakin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate buffer | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | trichobakin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate buffer | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | trichobakin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate buffer | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | trichobakin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate buffer | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | trichobakin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate buffer | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | trichobakin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate buffer | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | trichobakin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate buffer | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | trichobakin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate buffer | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | trichobakin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate buffer | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | trichobakin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate buffer | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | trichobakin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate buffer | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | trichobakin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate buffer | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | trichobakin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate buffer | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | trichobakin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate buffer | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | trichobakin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate buffer | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | trichobakin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate buffer | natural abundance | 50 mM |
Properties
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneContent subtype: bmr27989_3.str
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 DVSFRLSGATSSSYGVFISNLRKALPYERKLYDIPLLRSTLPGSQRYALIHLTNYADETISVAIDVTNVYVMGYRAGDTSYFFNEASATEAAKYVFKDAK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| DVSFRLSGATSSSYGVFISNLRKALPYERKLYDIPLLRSTLPGSQRYALIHLTNYADETISVAIDVTNVYVMGYRAGDTSYFFNEASATEAAKYVFKDAK -------110-------120-------130-------140-------150-------160-------170-------180-------190-------200 RKVTLPYSGNYERLQIAAGKIRENIPLGLPALDSAITTLFYYNANSAASALMVLIQSTSEAARYKFIEQQIGKRVDKTFLPSLAIISLENSWSALSKQIQ |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| RKVTLPYSGNYERLQIAAGKIRENIPLGLPALDSAITTLFYYNANSAASALMVLIQSTSEAARYKFIEQQIGKRVDKTFLPSLAIISLENSWSALSKQIQ -------210-------220-------230-------240------- IASTNNGQFETPVVLINAQNQRVTITNVDAGVVTSNIALLPNRNNMA |||||||||||||||||||||||||||||| |||||||||||||||| IASTNNGQFETPVVLINAQNQRVTITNVDA.VVTSNIALLPNRNNMA
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 1119 | 995 | 88.9 |
1H chemical shifts | 1466 | 1288 | 87.9 |
15N chemical shifts | 280 | 247 | 88.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 494 | 484 | 98.0 |
1H chemical shifts | 496 | 479 | 96.6 |
15N chemical shifts | 238 | 228 | 95.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 625 | 511 | 81.8 |
1H chemical shifts | 970 | 809 | 83.4 |
15N chemical shifts | 42 | 19 | 45.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 166 | 144 | 86.7 |
1H chemical shifts | 166 | 145 | 87.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 108 | 38 | 35.2 |
1H chemical shifts | 109 | 76 | 69.7 |
15N chemical shifts | 1 | 1 | 100.0 |