GB98 solution structure
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 81.5 % (556 of 682) | 81.8 % (287 of 351) | 78.6 % (213 of 271) | 93.3 % (56 of 60) |
Backbone | 98.8 % (332 of 336) | 99.1 % (113 of 114) | 98.8 % (164 of 166) | 98.2 % (55 of 56) |
Sidechain | 69.5 % (278 of 400) | 73.4 % (174 of 237) | 64.8 % (103 of 159) | 25.0 % (1 of 4) |
Aromatic | 66.1 % (37 of 56) | 78.6 % (22 of 28) | 51.9 % (14 of 27) | 100.0 % (1 of 1) |
Methyl | 67.5 % (54 of 80) | 77.5 % (31 of 40) | 57.5 % (23 of 40) |
1. GB98
TTYKLILNLK QAKEEAIKEL VDAGTAEKYF KLIANAKTVE GVWTYKDEIK TFTVTESolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | GB98 | [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 | GB98 | [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 | GB98 | [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 | GB98 | [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 | GB98 | [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 | GB98 | [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 | GB98 | [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 | GB98 | [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 | GB98 | [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 | GB98 | [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 | GB98 | [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_17840_2lhd.nef |
Input source #2: Coordindates | 2lhd.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------ TTYKLILNLKQAKEEAIKELVDAGTAEKYFKLIANAKTVEGVWTYKDEIKTFTVTE |||||||||||||||||||||||||||||||||||||||||||||||||||||||| TTYKLILNLKQAKEEAIKELVDAGTAEKYFKLIANAKTVEGVWTYKDEIKTFTVTE
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_17840_2lhd.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50------ TTYKLILNLKQAKEEAIKELVDAGTAEKYFKLIANAKTVEGVWTYKDEIKTFTVTE |||||||||||||||||||||||||||||||||||||||||||||||||||||||| TTYKLILNLKQAKEEAIKELVDAGTAEKYFKLIANAKTVEGVWTYKDEIKTFTVTE
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 351 | 286 | 81.5 |
13C chemical shifts | 271 | 213 | 78.6 |
15N chemical shifts | 60 | 56 | 93.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 114 | 113 | 99.1 |
13C chemical shifts | 112 | 110 | 98.2 |
15N chemical shifts | 56 | 55 | 98.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 237 | 173 | 73.0 |
13C chemical shifts | 159 | 103 | 64.8 |
15N chemical shifts | 4 | 1 | 25.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 40 | 30 | 75.0 |
13C chemical shifts | 40 | 23 | 57.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 28 | 22 | 78.6 |
13C chemical shifts | 27 | 14 | 51.9 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50------ TTYKLILNLKQAKEEAIKELVDAGTAEKYFKLIANAKTVEGVWTYKDEIKTFTVTE |||||||||||||||||||||||||||||||||||||||||||||||||||||||| TTYKLILNLKQAKEEAIKELVDAGTAEKYFKLIANAKTVEGVWTYKDEIKTFTVTE
--------10--------20--------30--------40--------50------ TTYKLILNLKQAKEEAIKELVDAGTAEKYFKLIANAKTVEGVWTYKDEIKTFTVTE | |||||| | | | | |||||||||||||||| | | | ||||||| T.YKLILN.....E.A.K.L..AGTAEKYFKLIANAKT...V.T.K...KTFTVTE
Dihedral angle restraints
--------10--------20--------30--------40--------50------ TTYKLILNLKQAKEEAIKELVDAGTAEKYFKLIANAKTVEGVWTYKDEIKTFTVTE ||||||||| |||||||||||||||||||||||||| ||||||| ||||||| TTYKLILNL..AKEEAIKELVDAGTAEKYFKLIANAK...GVWTYKD..KTFTVTE