Ga98 solution structure
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 80.1 % (545 of 680) | 78.6 % (275 of 350) | 79.3 % (214 of 270) | 93.3 % (56 of 60) |
Backbone | 97.9 % (329 of 336) | 96.5 % (110 of 114) | 98.8 % (164 of 166) | 98.2 % (55 of 56) |
Sidechain | 67.8 % (270 of 398) | 69.9 % (165 of 236) | 65.8 % (104 of 158) | 25.0 % (1 of 4) |
Aromatic | 75.0 % (36 of 48) | 83.3 % (20 of 24) | 65.2 % (15 of 23) | 100.0 % (1 of 1) |
Methyl | 53.6 % (45 of 84) | 66.7 % (28 of 42) | 40.5 % (17 of 42) |
1. Ga98
TTYKLILNLK QAKEEAIKEL VDAGTAEKYF KLIANAKTVE GVWTLKDEIK TFTVTESolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ga98 | [U-100% 13C; U-100% 15N] | 0.1 ~ 0.3 mM | |
2 | potassium phosphate | natural abundance | 100 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | 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 DMX - 600 MHz with a Z axis gradient 1H/13C/15N triple resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ga98 | [U-100% 13C; U-100% 15N] | 0.1 ~ 0.3 mM | |
2 | potassium phosphate | natural abundance | 100 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker DMX - 600 MHz with a Z axis gradient 1H/13C/15N triple resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ga98 | [U-100% 13C; U-100% 15N] | 0.1 ~ 0.3 mM | |
2 | potassium phosphate | natural abundance | 100 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker DMX - 600 MHz with a Z axis gradient 1H/13C/15N triple resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ga98 | [U-100% 13C; U-100% 15N] | 0.1 ~ 0.3 mM | |
2 | potassium phosphate | natural abundance | 100 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker DMX - 600 MHz with a Z axis gradient 1H/13C/15N triple resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ga98 | [U-100% 13C; U-100% 15N] | 0.1 ~ 0.3 mM | |
2 | potassium phosphate | natural abundance | 100 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker DMX - 600 MHz with a Z axis gradient 1H/13C/15N triple resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ga98 | [U-100% 13C; U-100% 15N] | 0.1 ~ 0.3 mM | |
2 | potassium phosphate | natural abundance | 100 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker DMX - 600 MHz with a Z axis gradient 1H/13C/15N triple resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ga98 | [U-100% 13C; U-100% 15N] | 0.1 ~ 0.3 mM | |
2 | potassium phosphate | natural abundance | 100 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker DMX - 600 MHz with a Z axis gradient 1H/13C/15N triple resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ga98 | [U-100% 13C; U-100% 15N] | 0.1 ~ 0.3 mM | |
2 | potassium phosphate | natural abundance | 100 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker DMX - 600 MHz with a Z axis gradient 1H/13C/15N triple resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ga98 | [U-100% 13C; U-100% 15N] | 0.1 ~ 0.3 mM | |
2 | potassium phosphate | natural abundance | 100 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker DMX - 600 MHz with a Z axis gradient 1H/13C/15N triple resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ga98 | [U-100% 13C; U-100% 15N] | 0.1 ~ 0.3 mM | |
2 | potassium phosphate | natural abundance | 100 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker DMX - 600 MHz with a Z axis gradient 1H/13C/15N triple resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ga98 | [U-100% 13C; U-100% 15N] | 0.1 ~ 0.3 mM | |
2 | potassium phosphate | natural abundance | 100 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17839_2lhc.nef |
Input source #2: Coordindates | 2lhc.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
--------10--------20--------30--------40--------50------ TTYKLILNLKQAKEEAIKELVDAGTAEKYFKLIANAKTVEGVWTLKDEIKTFTVTE |||||||||||||||||||||||||||||||||||||||||||||||||||||||| TTYKLILNLKQAKEEAIKELVDAGTAEKYFKLIANAKTVEGVWTLKDEIKTFTVTE
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 56 | 0 | 0 | 100.0 |
Content subtype: combined_17839_2lhc.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50------ TTYKLILNLKQAKEEAIKELVDAGTAEKYFKLIANAKTVEGVWTLKDEIKTFTVTE |||||||||||||||||||||||||||||||||||||||||||||||||||||||| TTYKLILNLKQAKEEAIKELVDAGTAEKYFKLIANAKTVEGVWTLKDEIKTFTVTE
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 270 | 213 | 78.9 |
1H chemical shifts | 350 | 276 | 78.9 |
15N chemical shifts | 60 | 56 | 93.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 112 | 110 | 98.2 |
1H chemical shifts | 114 | 111 | 97.4 |
15N chemical shifts | 56 | 55 | 98.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 158 | 103 | 65.2 |
1H chemical shifts | 236 | 165 | 69.9 |
15N chemical shifts | 4 | 1 | 25.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 42 | 16 | 38.1 |
1H chemical shifts | 42 | 29 | 69.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 23 | 15 | 65.2 |
1H chemical shifts | 24 | 20 | 83.3 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50------ TTYKLILNLKQAKEEAIKELVDAGTAEKYFKLIANAKTVEGVWTLKDEIKTFTVTE |||||||||||||||||||||||||||||||||||||||||||||||||||||| .TYKLILNLKQAKEEAIKELVDAGTAEKYFKLIANAKTVEGVWTLKDEIKTFTVT --------10--------20--------30--------40--------50-----
--------10--------20--------30--------40--------50------ TTYKLILNLKQAKEEAIKELVDAGTAEKYFKLIANAKTVEGVWTLKDEIKTFTVTE ||||||||||||||| |||||||| |||||||||||||| ........LKQAKEEAIKELVDA...EKYFKLIA....VEGVWTLKDEIKTF --------10--------20--------30--------40--------50--
Dihedral angle restraints
--------10--------20--------30--------40--------50------ TTYKLILNLKQAKEEAIKELVDAGTAEKYFKLIANAKTVEGVWTLKDEIKTFTVTE |||||||||||||||| ||||||||||| ||||||||||||||| .......NLKQAKEEAIKELVDA..AEKYFKLIANA.TVEGVWTLKDEIKTF --------10--------20--------30--------40--------50--