Solution structure of the SLURP-2, a secreted isoform of Lynx1
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 95.9 % (772 of 805) | 97.6 % (400 of 410) | 93.1 % (296 of 318) | 98.7 % (76 of 77) |
Backbone | 96.2 % (431 of 448) | 98.1 % (152 of 155) | 94.1 % (208 of 221) | 98.6 % (71 of 72) |
Sidechain | 96.0 % (409 of 426) | 97.3 % (248 of 255) | 94.0 % (156 of 166) | 100.0 % (5 of 5) |
Aromatic | 78.0 % (39 of 50) | 84.0 % (21 of 25) | 70.8 % (17 of 24) | 100.0 % (1 of 1) |
Methyl | 96.2 % (77 of 80) | 95.0 % (38 of 40) | 97.5 % (39 of 40) |
1. SLURP-2
MIWCHQCTGF GGCSHGSRCL RDSTHCVTTA TRVLSNTEDL PLVTKMCHIG CPDIPSLGLG PYVSIACCQT SLCNHDSolvent system 95% H2O/5% D2O/5% dioxane-d6, Pressure 1 atm, Temperature 315 K, pH 5.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SLURP-2 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | dioxane-d6 | natural abundance | 5 % |
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 - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O/5% dioxane-d6, Pressure 1 atm, Temperature 315 K, pH 5.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SLURP-2 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | dioxane-d6 | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O/5% dioxane-d6, Pressure 1 atm, Temperature 315 K, pH 5.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SLURP-2 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | dioxane-d6 | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O/5% dioxane-d6, Pressure 1 atm, Temperature 315 K, pH 5.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SLURP-2 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | dioxane-d6 | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O/5% dioxane-d6, Pressure 1 atm, Temperature 315 K, pH 5.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SLURP-2 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | dioxane-d6 | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O/5% dioxane-d6, Pressure 1 atm, Temperature 315 K, pH 5.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SLURP-2 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | dioxane-d6 | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O/5% dioxane-d6, Pressure 1 atm, Temperature 315 K, pH 5.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SLURP-2 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | dioxane-d6 | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O/5% dioxane-d6, Pressure 1 atm, Temperature 315 K, pH 5.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SLURP-2 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | dioxane-d6 | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O/5% dioxane-d6, Pressure 1 atm, Temperature 315 K, pH 5.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SLURP-2 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | dioxane-d6 | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O/5% dioxane-d6, Pressure 1 atm, Temperature 315 K, pH 5.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SLURP-2 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | dioxane-d6 | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O/5% dioxane-d6, Pressure 1 atm, Temperature 315 K, pH 5.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SLURP-2 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | dioxane-d6 | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O/5% dioxane-d6, Pressure 1 atm, Temperature 315 K, pH 5.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SLURP-2 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | dioxane-d6 | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O/5% dioxane-d6, Pressure 1 atm, Temperature 315 K, pH 5.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SLURP-2 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | dioxane-d6 | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25887_2n99.nef |
Input source #2: Coordindates | 2n99.cif |
Diamagnetism of the molecular assembly | True (excluding Oxygen atoms) |
Whether the assembly has a disulfide bond | True (see coordinates for details) |
Whether the assembly has a other bond | None |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Warning |
Disulfide bonds
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Ã…) |
---|---|---|---|---|
A:103:CYS:SG | A:125:CYS:SG | oxidized, CA 52.011, CB 41.944 ppm | oxidized, CA 52.172, CB 36.484 ppm | 1.909 |
A:106:CYS:SG | A:112:CYS:SG | oxidized, CA 53.907, CB 40.639 ppm | oxidized, CA 56.123, CB 41.79 ppm | 1.97 |
A:118:CYS:SG | A:146:CYS:SG | oxidized, CA 52.996, CB 39.297 ppm | oxidized, CA 56.669, CB 46.298 ppm | 1.996 |
A:150:CYS:SG | A:166:CYS:SG | oxidized, CA 50.265, CB 38.752 ppm | oxidized, CA 53.119, CB 48.826 ppm | 2.132 |
A:167:CYS:SG | A:172:CYS:SG | oxidized, CA 55.141, CB 45.463 ppm | oxidized, CA 57.81, CB 45.571 ppm | 1.92 |
Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneSequence alignments
100-----110-------120-------130-------140-------150-------160-------170----- MIWCHQCTGFGGCSHGSRCLRDSTHCVTTATRVLSNTEDLPLVTKMCHIGCPDIPSLGLGPYVSIACCQTSLCNHD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MIWCHQCTGFGGCSHGSRCLRDSTHCVTTATRVLSNTEDLPLVTKMCHIGCPDIPSLGLGPYVSIACCQTSLCNHD --------10--------20--------30--------40--------50--------60--------70------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 76 | 0 | 0 | 100.0 |
Content subtype: combined_25887_2n99.nef
Assigned chemical shifts
100-----110-------120-------130-------140-------150-------160-------170----- MIWCHQCTGFGGCSHGSRCLRDSTHCVTTATRVLSNTEDLPLVTKMCHIGCPDIPSLGLGPYVSIACCQTSLCNHD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MIWCHQCTGFGGCSHGSRCLRDSTHCVTTATRVLSNTEDLPLVTKMCHIGCPDIPSLGLGPYVSIACCQTSLCNHD
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 410 | 404 | 98.5 |
13C chemical shifts | 318 | 300 | 94.3 |
15N chemical shifts | 80 | 78 | 97.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 155 | 153 | 98.7 |
13C chemical shifts | 152 | 142 | 93.4 |
15N chemical shifts | 72 | 70 | 97.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 255 | 251 | 98.4 |
13C chemical shifts | 166 | 158 | 95.2 |
15N chemical shifts | 8 | 8 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 42 | 42 | 100.0 |
13C chemical shifts | 42 | 42 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 25 | 21 | 84.0 |
13C chemical shifts | 24 | 17 | 70.8 |
15N chemical shifts | 1 | 1 | 100.0 |
Covalent bonds
Distance restraints
100-----110-------120-------130-------140-------150-------160-------170----- MIWCHQCTGFGGCSHGSRCLRDSTHCVTTATRVLSNTEDLPLVTKMCHIGCPDIPSLGLGPYVSIACCQTSLCNHD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MIWCHQCTGFGGCSHGSRCLRDSTHCVTTATRVLSNTEDLPLVTKMCHIGCPDIPSLGLGPYVSIACCQTSLCNHD
Dihedral angle restraints
100-----110-------120-------130-------140-------150-------160-------170----- MIWCHQCTGFGGCSHGSRCLRDSTHCVTTATRVLSNTEDLPLVTKMCHIGCPDIPSLGLGPYVSIACCQTSLCNHD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MIWCHQCTGFGGCSHGSRCLRDSTHCVTTATRVLSNTEDLPLVTKMCHIGCPDIPSLGLGPYVSIACCQTSLCNHD