NMR structure of the C-terminal domain of the human RPAP3 protein
GPHMAQFATT VLPPIPANSF QLESDFRQLK SSPDMLYQYL KQIEPSLYPK LFQKNLDPDV FNQIVKILHD FYIEKEKPLL IFEILQRLSE LKRFDMAVMF MSETEKKIAR ALFNHIDKSG LKDSSVEELK KRYGG
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 95.7 % (1631 of 1704) | 97.7 % (879 of 900) | 92.3 % (615 of 666) | 99.3 % (137 of 138) |
Backbone | 98.9 % (783 of 792) | 98.1 % (260 of 265) | 99.3 % (398 of 401) | 99.2 % (125 of 126) |
Sidechain | 93.9 % (979 of 1043) | 97.5 % (619 of 635) | 87.9 % (348 of 396) | 100.0 % (12 of 12) |
Aromatic | 62.5 % (95 of 152) | 85.5 % (65 of 76) | 39.5 % (30 of 76) | |
Methyl | 100.0 % (142 of 142) | 100.0 % (71 of 71) | 100.0 % (71 of 71) |
1. entity 1
GPHMAQFATT VLPPIPANSF QLESDFRQLK SSPDMLYQYL KQIEPSLYPK LFQKNLDPDV FNQIVKILHD FYIEKEKPLL IFEILQRLSE LKRFDMAVMF MSETEKKIAR ALFNHIDKSG LKDSSVEELK KRYGGSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RPAP3 C-terminal domain | [U-13C; U-15N] | 1 mM | |
2 | TCEP | natural abundance | 0.5 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 10 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RPAP3 C-terminal domain | [U-13C; U-15N] | 1 mM | |
2 | TCEP | natural abundance | 0.5 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 10 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RPAP3 C-terminal domain | [U-13C; U-15N] | 1 mM | |
2 | TCEP | natural abundance | 0.5 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 10 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RPAP3 C-terminal domain | [U-13C; U-15N] | 1 mM | |
2 | TCEP | natural abundance | 0.5 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 10 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RPAP3 C-terminal domain | [U-13C; U-15N] | 1 mM | |
2 | TCEP | natural abundance | 0.5 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 10 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RPAP3 C-terminal domain | [U-13C; U-15N] | 1 mM | |
2 | TCEP | natural abundance | 0.5 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 10 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RPAP3 C-terminal domain | [U-13C; U-15N] | 1 mM | |
2 | TCEP | natural abundance | 0.5 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 10 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RPAP3 C-terminal domain | [U-13C; U-15N] | 1 mM | |
2 | TCEP | natural abundance | 0.5 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 10 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RPAP3 C-terminal domain | [U-13C; U-15N] | 1 mM | |
2 | TCEP | natural abundance | 0.5 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 10 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RPAP3 C-terminal domain | [U-13C; U-15N] | 1 mM | |
2 | TCEP | natural abundance | 0.5 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 10 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RPAP3 C-terminal domain | [U-13C; U-15N] | 1 mM | |
2 | TCEP | natural abundance | 0.5 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 10 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RPAP3 C-terminal domain | [U-13C; U-15N] | 1 mM | |
2 | TCEP | natural abundance | 0.5 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 10 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RPAP3 C-terminal domain | [U-13C; U-15N] | 1 mM | |
2 | TCEP | natural abundance | 0.5 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 10 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RPAP3 C-terminal domain | [U-13C; U-15N] | 1 mM | |
2 | TCEP | natural abundance | 0.5 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 10 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RPAP3 C-terminal domain | [U-13C; U-15N] | 1 mM | |
2 | TCEP | natural abundance | 0.5 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 10 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RPAP3 C-terminal domain | [U-13C; U-15N] | 1 mM | |
2 | TCEP | natural abundance | 0.5 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 10 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RPAP3 C-terminal domain | [U-13C; U-15N] | 1 mM | |
2 | TCEP | natural abundance | 0.5 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 10 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RPAP3 C-terminal domain | [U-13C; U-15N] | 1 mM | |
2 | TCEP | natural abundance | 0.5 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 10 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RPAP3 C-terminal domain | [U-13C; U-15N] | 1 mM | |
2 | TCEP | natural abundance | 0.5 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 10 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_34200_6ez4.nef |
Input source #2: Coordindates | 6ez4.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
-------540-------550-------560-------570-------580-------590-------600-------610-------620-------630 GPHMAQFATTVLPPIPANSFQLESDFRQLKSSPDMLYQYLKQIEPSLYPKLFQKNLDPDVFNQIVKILHDFYIEKEKPLLIFEILQRLSELKRFDMAVMF |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPHMAQFATTVLPPIPANSFQLESDFRQLKSSPDMLYQYLKQIEPSLYPKLFQKNLDPDVFNQIVKILHDFYIEKEKPLLIFEILQRLSELKRFDMAVMF --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------640-------650-------660----- MSETEKKIARALFNHIDKSGLKDSSVEELKKRYGG ||||||||||||||||||||||||||||||||||| MSETEKKIARALFNHIDKSGLKDSSVEELKKRYGG -------110-------120-------130-----
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 135 | 0 | 0 | 100.0 |
Content subtype: combined_34200_6ez4.nef
Assigned chemical shifts
-------540-------550-------560-------570-------580-------590-------600-------610-------620-------630 GPHMAQFATTVLPPIPANSFQLESDFRQLKSSPDMLYQYLKQIEPSLYPKLFQKNLDPDVFNQIVKILHDFYIEKEKPLLIFEILQRLSELKRFDMAVMF ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .PHMAQFATTVLPPIPANSFQLESDFRQLKSSPDMLYQYLKQIEPSLYPKLFQKNLDPDVFNQIVKILHDFYIEKEKPLLIFEILQRLSELKRFDMAVMF -------640-------650-------660----- MSETEKKIARALFNHIDKSGLKDSSVEELKKRYGG ||||||||||||||||||||||||||||||||||| MSETEKKIARALFNHIDKSGLKDSSVEELKKRYGG
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
569 | TYR | HH | 11.426 |
578 | TYR | HH | 8.914 |
602 | TYR | HH | 9.525 |
619 | SER | HG | 6.083 |
663 | TYR | HH | 9.253 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 900 | 884 | 98.2 |
13C chemical shifts | 666 | 615 | 92.3 |
15N chemical shifts | 143 | 142 | 99.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 265 | 262 | 98.9 |
13C chemical shifts | 270 | 267 | 98.9 |
15N chemical shifts | 126 | 125 | 99.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 635 | 622 | 98.0 |
13C chemical shifts | 396 | 348 | 87.9 |
15N chemical shifts | 17 | 17 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 76 | 76 | 100.0 |
13C chemical shifts | 76 | 76 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 76 | 65 | 85.5 |
13C chemical shifts | 76 | 30 | 39.5 |
Distance restraints
-------540-------550-------560-------570-------580-------590-------600-------610-------620-------630 GPHMAQFATTVLPPIPANSFQLESDFRQLKSSPDMLYQYLKQIEPSLYPKLFQKNLDPDVFNQIVKILHDFYIEKEKPLLIFEILQRLSELKRFDMAVMF |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..HMAQFATTVLPPIPANSFQLESDFRQLKSSPDMLYQYLKQIEPSLYPKLFQKNLDPDVFNQIVKILHDFYIEKEKPLLIFEILQRLSELKRFDMAVMF -------640-------650-------660----- MSETEKKIARALFNHIDKSGLKDSSVEELKKRYGG ||||||||||||||||||||||||||||||||||| MSETEKKIARALFNHIDKSGLKDSSVEELKKRYGG
Dihedral angle restraints
-------540-------550-------560-------570-------580-------590-------600-------610-------620-------630 GPHMAQFATTVLPPIPANSFQLESDFRQLKSSPDMLYQYLKQIEPSLYPKLFQKNLDPDVFNQIVKILHDFYIEKEKPLLIFEILQRLSELKRFDMAVMF ||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||| ..HMAQFATTV.PPIPANSFQLESDFRQLKSSPDMLYQYLKQIEPSLYPKLFQKNLDPDVFNQIVKILH..YIEKEKPLLIFEILQRLSELKRFDMAVMF -------540-------550-------560-------570-------580-------590-------600-------610-------620-------630 -------640-------650-------660----- MSETEKKIARALFNHIDKSGLKDSSVEELKKRYGG |||||||||||||||||||||||||||||||||| MSETEKKIARALFNHIDKSGLKDSSVEELKKRYG -------640-------650-------660----