Solution NMR structure of uncharacterized protein YejG representing the first structure from PF13989
GPTSLQLSIV HRLPQNYRWS AGFAGSKVEP IPQNGPCGDN SLVALKLLSP DGDNAWSVMY KLSQALSDIE VPCSVLECEG EPCLFVNRQD EFAATCRLKN FGVAIAEPFS NYNPF
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 86.1 % (1130 of 1313) | 85.5 % (583 of 682) | 85.9 % (439 of 511) | 90.0 % (108 of 120) |
Backbone | 92.4 % (619 of 670) | 91.7 % (209 of 228) | 92.9 % (313 of 337) | 92.4 % (97 of 105) |
Sidechain | 81.5 % (611 of 750) | 82.4 % (374 of 454) | 80.4 % (226 of 281) | 73.3 % (11 of 15) |
Aromatic | 58.0 % (65 of 112) | 75.0 % (42 of 56) | 38.9 % (21 of 54) | 100.0 % (2 of 2) |
Methyl | 89.0 % (105 of 118) | 89.8 % (53 of 59) | 88.1 % (52 of 59) |
1. entity 1
GPTSLQLSIV HRLPQNYRWS AGFAGSKVEP IPQNGPCGDN SLVALKLLSP DGDNAWSVMY KLSQALSDIE VPCSVLECEG EPCLFVNRQD EFAATCRLKN FGVAIAEPFS NYNPFSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 600 uM [U-13C,15N] YejG, 20 mM Bi-tris, 50 mM NaCl, 1 mM TCEP, 0.2 mM PMSF, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bi-tris | natural abundance | 20 mM | |
2 | NaCl | natural abundance | 50 mM | |
3 | PMSF | natural abundance | 0.2 mM | |
4 | TCEP | natural abundance | 1 mM | |
5 | YejG | [U-13C; U-15N] | 600 uM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 600 uM [U-13C,15N] YejG, 20 mM Bi-tris, 50 mM NaCl, 1 mM TCEP, 0.2 mM PMSF, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bi-tris | natural abundance | 20 mM | |
2 | NaCl | natural abundance | 50 mM | |
3 | PMSF | natural abundance | 0.2 mM | |
4 | TCEP | natural abundance | 1 mM | |
5 | YejG | [U-13C; U-15N] | 600 uM |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 600 uM [U-13C,15N] YejG, 20 mM Bi-tris, 50 mM NaCl, 1 mM TCEP, 0.2 mM PMSF, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bi-tris | natural abundance | 20 mM | |
2 | NaCl | natural abundance | 50 mM | |
3 | PMSF | natural abundance | 0.2 mM | |
4 | TCEP | natural abundance | 1 mM | |
5 | YejG | [U-13C; U-15N] | 600 uM |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 600 uM [U-13C,15N] YejG, 20 mM Bi-tris, 50 mM NaCl, 1 mM TCEP, 0.2 mM PMSF, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bi-tris | natural abundance | 20 mM | |
2 | NaCl | natural abundance | 50 mM | |
3 | PMSF | natural abundance | 0.2 mM | |
4 | TCEP | natural abundance | 1 mM | |
5 | YejG | [U-13C; U-15N] | 600 uM |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 600 uM [U-13C,15N] YejG, 20 mM Bi-tris, 50 mM NaCl, 1 mM TCEP, 0.2 mM PMSF, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bi-tris | natural abundance | 20 mM | |
2 | NaCl | natural abundance | 50 mM | |
3 | PMSF | natural abundance | 0.2 mM | |
4 | TCEP | natural abundance | 1 mM | |
5 | YejG | [U-13C; U-15N] | 600 uM |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 600 uM [U-13C,15N] YejG, 20 mM Bi-tris, 50 mM NaCl, 1 mM TCEP, 0.2 mM PMSF, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bi-tris | natural abundance | 20 mM | |
2 | NaCl | natural abundance | 50 mM | |
3 | PMSF | natural abundance | 0.2 mM | |
4 | TCEP | natural abundance | 1 mM | |
5 | YejG | [U-13C; U-15N] | 600 uM |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 600 uM [U-13C,15N] YejG, 20 mM Bi-tris, 50 mM NaCl, 1 mM TCEP, 0.2 mM PMSF, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bi-tris | natural abundance | 20 mM | |
2 | NaCl | natural abundance | 50 mM | |
3 | PMSF | natural abundance | 0.2 mM | |
4 | TCEP | natural abundance | 1 mM | |
5 | YejG | [U-13C; U-15N] | 600 uM |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 600 uM [U-13C,15N] YejG, 20 mM Bi-tris, 50 mM NaCl, 1 mM TCEP, 0.2 mM PMSF, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bi-tris | natural abundance | 20 mM | |
2 | NaCl | natural abundance | 50 mM | |
3 | PMSF | natural abundance | 0.2 mM | |
4 | TCEP | natural abundance | 1 mM | |
5 | YejG | [U-13C; U-15N] | 600 uM |
Bruker Avance III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 600 uM [U-13C,15N] YejG, 20 mM Bi-tris, 50 mM NaCl, 1 mM TCEP, 0.2 mM PMSF, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bi-tris | natural abundance | 20 mM | |
2 | NaCl | natural abundance | 50 mM | |
3 | PMSF | natural abundance | 0.2 mM | |
4 | TCEP | natural abundance | 1 mM | |
5 | YejG | [U-13C; U-15N] | 600 uM |
Bruker Avance III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 600 uM [U-13C,15N] YejG, 20 mM Bi-tris, 50 mM NaCl, 1 mM TCEP, 0.2 mM PMSF, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bi-tris | natural abundance | 20 mM | |
2 | NaCl | natural abundance | 50 mM | |
3 | PMSF | natural abundance | 0.2 mM | |
4 | TCEP | natural abundance | 1 mM | |
5 | YejG | [U-13C; U-15N] | 600 uM |
Bruker Avance III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 600 uM [U-13C,15N] YejG, 20 mM Bi-tris, 50 mM NaCl, 1 mM TCEP, 0.2 mM PMSF, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bi-tris | natural abundance | 20 mM | |
2 | NaCl | natural abundance | 50 mM | |
3 | PMSF | natural abundance | 0.2 mM | |
4 | TCEP | natural abundance | 1 mM | |
5 | YejG | [U-13C; U-15N] | 600 uM |
Bruker Avance III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 600 uM [U-13C,15N] YejG, 20 mM Bi-tris, 50 mM NaCl, 1 mM TCEP, 0.2 mM PMSF, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bi-tris | natural abundance | 20 mM | |
2 | NaCl | natural abundance | 50 mM | |
3 | PMSF | natural abundance | 0.2 mM | |
4 | TCEP | natural abundance | 1 mM | |
5 | YejG | [U-13C; U-15N] | 600 uM |
Bruker Avance III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 600 uM [U-13C,15N] YejG, 20 mM Bi-tris, 50 mM NaCl, 1 mM TCEP, 0.2 mM PMSF, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bi-tris | natural abundance | 20 mM | |
2 | NaCl | natural abundance | 50 mM | |
3 | PMSF | natural abundance | 0.2 mM | |
4 | TCEP | natural abundance | 1 mM | |
5 | YejG | [U-13C; U-15N] | 600 uM |
Bruker Avance III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 600 uM [U-13C,15N] YejG, 20 mM Bi-tris, 50 mM NaCl, 1 mM TCEP, 0.2 mM PMSF, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bi-tris | natural abundance | 20 mM | |
2 | NaCl | natural abundance | 50 mM | |
3 | PMSF | natural abundance | 0.2 mM | |
4 | TCEP | natural abundance | 1 mM | |
5 | YejG | [U-13C; U-15N] | 600 uM |
Bruker Avance III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 600 uM [U-13C,15N] YejG, 20 mM Bi-tris, 50 mM NaCl, 1 mM TCEP, 0.2 mM PMSF, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bi-tris | natural abundance | 20 mM | |
2 | NaCl | natural abundance | 50 mM | |
3 | PMSF | natural abundance | 0.2 mM | |
4 | TCEP | natural abundance | 1 mM | |
5 | YejG | [U-13C; U-15N] | 600 uM |
Bruker Avance III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 600 uM [U-13C,15N] YejG, 20 mM Bi-tris, 50 mM NaCl, 1 mM TCEP, 0.2 mM PMSF, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bi-tris | natural abundance | 20 mM | |
2 | NaCl | natural abundance | 50 mM | |
3 | PMSF | natural abundance | 0.2 mM | |
4 | TCEP | natural abundance | 1 mM | |
5 | YejG | [U-13C; U-15N] | 600 uM |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 600 uM [U-13C,15N] YejG, 20 mM Bi-tris, 50 mM NaCl, 1 mM TCEP, 0.2 mM PMSF, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bi-tris | natural abundance | 20 mM | |
2 | NaCl | natural abundance | 50 mM | |
3 | PMSF | natural abundance | 0.2 mM | |
4 | TCEP | natural abundance | 1 mM | |
5 | YejG | [U-13C; U-15N] | 600 uM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_30370_6bi6.nef |
Input source #2: Coordindates | 6bi6.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
0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------10 GPTSLQLSIVHRLPQNYRWSAGFAGSKVEPIPQNGPCGDNSLVALKLLSPDGDNAWSVMYKLSQALSDIEVPCSVLECEGEPCLFVNRQDEFAATCRLKN |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPTSLQLSIVHRLPQNYRWSAGFAGSKVEPIPQNGPCGDNSLVALKLLSPDGDNAWSVMYKLSQALSDIEVPCSVLECEGEPCLFVNRQDEFAATCRLKN --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 0-------110---- FGVAIAEPFSNYNPF ||||||||||||||| FGVAIAEPFSNYNPF -------110-----
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 115 | 0 | 0 | 100.0 |
Content subtype: combined_30370_6bi6.nef
Assigned chemical shifts
0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------10 GPTSLQLSIVHRLPQNYRWSAGFAGSKVEPIPQNGPCGDNSLVALKLLSPDGDNAWSVMYKLSQALSDIEVPCSVLECEGEPCLFVNRQDEFAATCRLKN ||||||||| |||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||| ||||||||||||||||| .PTSLQLSIV...PQNYRWSAGFAGSKVEPIPQNGPCGDNSLVAL..LSPDGDNAWSVMYKLSQALSDIEVPCSVLECEGE..LFVNRQDEFAATCRLKN 0-------110---- FGVAIAEPFSNYNPF ||||||||||||||| FGVAIAEPFSNYNPF
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 682 | 577 | 84.6 |
13C chemical shifts | 511 | 439 | 85.9 |
15N chemical shifts | 124 | 106 | 85.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 228 | 210 | 92.1 |
13C chemical shifts | 230 | 213 | 92.6 |
15N chemical shifts | 105 | 96 | 91.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 454 | 367 | 80.8 |
13C chemical shifts | 281 | 226 | 80.4 |
15N chemical shifts | 19 | 10 | 52.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 60 | 56 | 93.3 |
13C chemical shifts | 60 | 55 | 91.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 56 | 42 | 75.0 |
13C chemical shifts | 54 | 21 | 38.9 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------10 GPTSLQLSIVHRLPQNYRWSAGFAGSKVEPIPQNGPCGDNSLVALKLLSPDGDNAWSVMYKLSQALSDIEVPCSVLECEGEPCLFVNRQDEFAATCRLKN |||||||| |||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||| ||||||||||||||||| ..TSLQLSIV...PQNYRWSAGFAGSKVEPIPQNGPCGDNSLVAL..LSPDGDNAWSVMYKLSQALSDIEVPCSVLECEGE..LFVNRQDEFAATCRLKN 0-------110---- FGVAIAEPFSNYNPF ||||||||||||||| FGVAIAEPFSNYNPF
Dihedral angle restraints
0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------10 GPTSLQLSIVHRLPQNYRWSAGFAGSKVEPIPQNGPCGDNSLVALKLLSPDGDNAWSVMYKLSQALSDIEVPCSVLECEGEPCLFVNRQDEFAATCRLKN ||||| ||||| |||||| ||||||||| ||||||||||||||||| |||||||| |||| ||||||||||| ......LSIVH....NYRWS....GSKVEP.........NSLVALKLL...GDNAWSVMYKLSQALSD...PCSVLECE...CLFV...DEFAATCRLKN 0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------10 0-------110---- FGVAIAEPFSNYNPF ||||||| FGVAIAE 0------