Attachment of an NMR-invisible solubility enhancement tag (INSET) using a sortase-mediated protein ligation method
GPGTFGTAKA RYDFCARDRS ELSLKEGDII KILNKKGQQG WWRGEIYGRI GWFPSNYVEE DYSEYLPETG GGSGSSMEYK LILNGKTLKG ETTTEAVDAA TAEKVFKQYA NDGVDGEWTY DDATKTFTVT EHSLEHHHHH H
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 54.0 % (870 of 1610) | 54.9 % (456 of 831) | 52.5 % (331 of 630) | 55.7 % (83 of 149) |
Backbone | 54.3 % (456 of 840) | 54.1 % (160 of 296) | 54.2 % (220 of 406) | 55.1 % (76 of 138) |
Sidechain | 54.0 % (483 of 894) | 55.3 % (296 of 535) | 51.7 % (180 of 348) | 63.6 % (7 of 11) |
Aromatic | 47.4 % (90 of 190) | 55.8 % (53 of 95) | 37.4 % (34 of 91) | 75.0 % (3 of 4) |
Methyl | 50.0 % (60 of 120) | 50.0 % (30 of 60) | 50.0 % (30 of 60) |
1. entity
GPGTFGTAKA RYDFCARDRS ELSLKEGDII KILNKKGQQG WWRGEIYGRI GWFPSNYVEE DYSEYLPETG GGSGSSMEYK LILNGKTLKG ETTTEAVDAA TAEKVFKQYA NDGVDGEWTY DDATKTFTVT EHSLEHHHHH HSolvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | ||
2 | MES | natural abundance | 20 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | NaCl | natural abundance | 150 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Varian Unity - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | ||
2 | MES | natural abundance | 20 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | NaCl | natural abundance | 150 mM |
Varian Unity - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | ||
2 | MES | natural abundance | 20 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | NaCl | natural abundance | 150 mM |
Varian Unity - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | ||
2 | MES | natural abundance | 20 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | NaCl | natural abundance | 150 mM |
Varian Unity - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | ||
2 | MES | natural abundance | 20 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | NaCl | natural abundance | 150 mM |
Varian Unity - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | ||
2 | MES | natural abundance | 20 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | NaCl | natural abundance | 150 mM |
Varian Unity - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | ||
2 | MES | natural abundance | 20 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | NaCl | natural abundance | 150 mM |
Varian Unity - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | ||
2 | MES | natural abundance | 20 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | NaCl | natural abundance | 150 mM |
Varian Unity - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | ||
2 | MES | natural abundance | 20 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | NaCl | natural abundance | 150 mM |
Varian Unity - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | ||
2 | MES | natural abundance | 20 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | NaCl | natural abundance | 150 mM |
Varian Unity - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | ||
2 | MES | natural abundance | 20 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | NaCl | natural abundance | 150 mM |
Varian Unity - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | ||
2 | MES | natural abundance | 20 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | NaCl | natural abundance | 150 mM |
Varian Unity - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | ||
2 | MES | natural abundance | 20 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | NaCl | natural abundance | 150 mM |
Varian Unity - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | ||
2 | MES | natural abundance | 20 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | NaCl | natural abundance | 150 mM |
Varian Unity - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | ||
2 | MES | natural abundance | 20 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | NaCl | natural abundance | 150 mM |
Varian Unity - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | ||
2 | MES | natural abundance | 20 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | NaCl | natural abundance | 150 mM |
Varian Unity - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | ||
2 | MES | natural abundance | 20 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | NaCl | natural abundance | 150 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_16053_2kbt.nef |
Input source #2: Coordindates | 2kbt.cif |
Diamagnetism of the molecular assembly | True (excluding Oxygen atoms) |
Whether the assembly has a disulfide bond | None |
Whether the assembly has a other bond | None |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Warning |
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneSequence alignments
780-----790-------800-------810-------820-------830-------840-------850-------860-------870-------88 GPGTFGTAKARYDFCARDRSELSLKEGDIIKILNKKGQQGWWRGEIYGRIGWFPSNYVEEDYSEYLPETGGGSGSSMTYKLILNGKTLKGETTTEAVDAA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPGTFGTAKARYDFCARDRSELSLKEGDIIKILNKKGQQGWWRGEIYGRIGWFPSNYVEEDYSEYLPETGGGSGSSMTYKLILNGKTLKGETTTEAVDAA --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 0-------890-------900-------910-------920- TAEKVFKQYANDNGVDGEWTYDDATKTFTVTEHSLEHHHHHH |||||||||||||||||||||||||||||||||||||||||| TAEKVFKQYANDNGVDGEWTYDDATKTFTVTEHSLEHHHHHH -------110-------120-------130-------140--
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 142 | 0 | 0 | 100.0 |
Content subtype: combined_16053_2kbt.nef
Assigned chemical shifts
Distance restraints