Solution NMR chemical shift assignments of nanobody Nb11 specific for aflatoxin B1
MQLQLVESGG GLVQAGGSLR LSCVASGRTF RSNAMGWFRQ APGKEREFVA AIRWSGGSTY YADSVKGRFT ISRDNAKNTV YLQMNSLKPE DTAVYLCAAG VWRSSGWDTP DYWGQGTQVT VSSLEHHHHH H
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 79.1 % (1163 of 1470) | 77.9 % (589 of 756) | 78.6 % (448 of 570) | 87.5 % (126 of 144) |
Backbone | 91.3 % (712 of 780) | 90.5 % (248 of 274) | 92.6 % (350 of 378) | 89.1 % (114 of 128) |
Sidechain | 69.0 % (556 of 806) | 70.7 % (341 of 482) | 65.9 % (203 of 308) | 75.0 % (12 of 16) |
Aromatic | 2.4 % (4 of 164) | 2.4 % (2 of 82) | 1.3 % (1 of 77) | 20.0 % (1 of 5) |
Methyl | 95.1 % (116 of 122) | 96.7 % (59 of 61) | 93.4 % (57 of 61) |
1. Nb11
MQLQLVESGG GLVQAGGSLR LSCVASGRTF RSNAMGWFRQ APGKEREFVA AIRWSGGSTY YADSVKGRFT ISRDNAKNTV YLQMNSLKPE DTAVYLCAAG VWRSSGWDTP DYWGQGTQVT VSSLEHHHHH HSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Nb11 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | D2O | [U-100% 13C; U-100% 15N] | 10% v/v | |
3 | sodium chloride | [U-100% 13C; U-100% 15N] | 100 mM | |
4 | MES | [U-100% 13C; U-100% 15N] | 20 mM |
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 |
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 |
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 |
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 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Nb11 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | D2O | [U-100% 13C; U-100% 15N] | 10% v/v | |
3 | sodium chloride | [U-100% 13C; U-100% 15N] | 100 mM | |
4 | MES | [U-100% 13C; U-100% 15N] | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Nb11 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | D2O | [U-100% 13C; U-100% 15N] | 10% v/v | |
3 | sodium chloride | [U-100% 13C; U-100% 15N] | 100 mM | |
4 | MES | [U-100% 13C; U-100% 15N] | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Nb11 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | D2O | [U-100% 13C; U-100% 15N] | 10% v/v | |
3 | sodium chloride | [U-100% 13C; U-100% 15N] | 100 mM | |
4 | MES | [U-100% 13C; U-100% 15N] | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Nb11 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | D2O | [U-100% 13C; U-100% 15N] | 10% v/v | |
3 | sodium chloride | [U-100% 13C; U-100% 15N] | 100 mM | |
4 | MES | [U-100% 13C; U-100% 15N] | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Nb11 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | D2O | [U-100% 13C; U-100% 15N] | 10% v/v | |
3 | sodium chloride | [U-100% 13C; U-100% 15N] | 100 mM | |
4 | MES | [U-100% 13C; U-100% 15N] | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Nb11 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | D2O | [U-100% 13C; U-100% 15N] | 10% v/v | |
3 | sodium chloride | [U-100% 13C; U-100% 15N] | 100 mM | |
4 | MES | [U-100% 13C; U-100% 15N] | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Nb11 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | D2O | [U-100% 13C; U-100% 15N] | 10% v/v | |
3 | sodium chloride | [U-100% 13C; U-100% 15N] | 100 mM | |
4 | MES | [U-100% 13C; U-100% 15N] | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Nb11 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | D2O | [U-100% 13C; U-100% 15N] | 10% v/v | |
3 | sodium chloride | [U-100% 13C; U-100% 15N] | 100 mM | |
4 | MES | [U-100% 13C; U-100% 15N] | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Nb11 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | D2O | [U-100% 13C; U-100% 15N] | 10% v/v | |
3 | sodium chloride | [U-100% 13C; U-100% 15N] | 100 mM | |
4 | MES | [U-100% 13C; U-100% 15N] | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Nb11 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | D2O | [U-100% 13C; U-100% 15N] | 10% v/v | |
3 | sodium chloride | [U-100% 13C; U-100% 15N] | 100 mM | |
4 | MES | [U-100% 13C; U-100% 15N] | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Nb11 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | D2O | [U-100% 13C; U-100% 15N] | 10% v/v | |
3 | sodium chloride | [U-100% 13C; U-100% 15N] | 100 mM | |
4 | MES | [U-100% 13C; U-100% 15N] | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Nb11 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | D2O | [U-100% 13C; U-100% 15N] | 10% v/v | |
3 | sodium chloride | [U-100% 13C; U-100% 15N] | 100 mM | |
4 | MES | [U-100% 13C; U-100% 15N] | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Nb11 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | D2O | [U-100% 13C; U-100% 15N] | 10% v/v | |
3 | sodium chloride | [U-100% 13C; U-100% 15N] | 100 mM | |
4 | MES | [U-100% 13C; U-100% 15N] | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Nb11 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | D2O | [U-100% 13C; U-100% 15N] | 10% v/v | |
3 | sodium chloride | [U-100% 13C; U-100% 15N] | 100 mM | |
4 | MES | [U-100% 13C; U-100% 15N] | 20 mM |
Properties
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneContent subtype: bmr27519_3.str
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MQLQLVESGGGLVQAGGSLRLSCVASGRTFRSNAMGWFRQAPGKEREFVAAIRWSGGSTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYLCAAG ||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||||| .QLQLVESGGGLVQAGGSLRLSCVASGRTFRSNAMGWFRQAPGKEREFVAAIRW.GGSTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYLCAAG --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130- VWRSSGWDTPDYWGQGTQVTVSSLEHHHHHH |||||||||||||||||||||||||| VWRSSGWDTPDYWGQGTQVTVSSLEH -------110-------120------
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 756 | 589 | 77.9 |
13C chemical shifts | 570 | 448 | 78.6 |
15N chemical shifts | 153 | 126 | 82.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 274 | 248 | 90.5 |
13C chemical shifts | 262 | 245 | 93.5 |
15N chemical shifts | 128 | 114 | 89.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 482 | 341 | 70.7 |
13C chemical shifts | 308 | 203 | 65.9 |
15N chemical shifts | 25 | 12 | 48.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 64 | 59 | 92.2 |
13C chemical shifts | 64 | 57 | 89.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 82 | 2 | 2.4 |
13C chemical shifts | 77 | 1 | 1.3 |
15N chemical shifts | 5 | 1 | 20.0 |