Apo solution structure of Hop TPR2A
GPHMASLPEN KKQALKEKEL GNDAYKKKDF DTALKHYDKA KELDPTNMTY ITNQAAVYFE KGDYNKCREL CEKAIEVGRE NREDYRQIAK AYARIGNSYF KEEKYKDAIH FYNKSLAEHR TPDVLKKCQQ AEKILKEQE
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 92.7 % (1577 of 1702) | 91.6 % (829 of 905) | 94.8 % (614 of 648) | 89.9 % (134 of 149) |
Backbone | 95.3 % (787 of 826) | 94.3 % (263 of 279) | 95.6 % (394 of 412) | 96.3 % (130 of 135) |
Sidechain | 90.9 % (918 of 1010) | 90.4 % (566 of 626) | 94.1 % (348 of 370) | 28.6 % (4 of 14) |
Aromatic | 89.7 % (122 of 136) | 91.2 % (62 of 68) | 88.2 % (60 of 68) | |
Methyl | 94.5 % (104 of 110) | 94.5 % (52 of 55) | 94.5 % (52 of 55) |
1. entity
GPHMASLPEN KKQALKEKEL GNDAYKKKDF DTALKHYDKA KELDPTNMTY ITNQAAVYFE KGDYNKCREL CEKAIEVGRE NREDYRQIAK AYARIGNSYF KEEKYKDAIH FYNKSLAEHR TPDVLKKCQQ AEKILKEQESolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.01 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | entity | [U-13C; U-15N] | 1.5 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | sodium chloride | natural abundance | 50 mM | |
9 | DTT | natural abundance | 1 mM | |
10 | sodium azide | natural abundance | 0.01 % |
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 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | entity | [U-13C; U-15N] | 1.5 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | sodium chloride | natural abundance | 50 mM | |
9 | DTT | natural abundance | 1 mM | |
10 | sodium azide | natural abundance | 0.01 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.01 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_26011_2nc9.nef |
Input source #2: Coordindates | 2nc9.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--------60--------70--------80--------90-------100-------1 ENKKQALKEKELGNDAYKKKDFDTALKHYDKAKELDPTNMTYITNQAAVYFEKGDYNKCRELCEKAIEVGRENREDYRQIAKAYARIGNSYFKEEKYKDA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ENKKQALKEKELGNDAYKKKDFDTALKHYDKAKELDPTNMTYITNQAAVYFEKGDYNKCRELCEKAIEVGRENREDYRQIAKAYARIGNSYFKEEKYKDA --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 10-------120-------130--------- IHFYNKSLAEHRTPDVLKKCQQAEKILKEQE ||||||||||||||||||||||||||||||| IHFYNKSLAEHRTPDVLKKCQQAEKILKEQE -------110-------120-------130-
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 131 | 0 | 0 | 100.0 |
Content subtype: combined_26011_2nc9.nef
Assigned chemical shifts
-10-------20--------30--------40--------50--------60--------70--------80--------90-------100-------1 ENKKQALKEKELGNDAYKKKDFDTALKHYDKAKELDPTNMTYITNQAAVYFEKGDYNKCRELCEKAIEVGRENREDYRQIAKAYARIGNSYFKEEKYKDA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ENKKQALKEKELGNDAYKKKDFDTALKHYDKAKELDPTNMTYITNQAAVYFEKGDYNKCRELCEKAIEVGRENREDYRQIAKAYARIGNSYFKEEKYKDA 10-------120-------130--------- IHFYNKSLAEHRTPDVLKKCQQAEKILKEQE ||||||||||||||||||||||||||||||| IHFYNKSLAEHRTPDVLKKCQQAEKILKEQE
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 861 | 828 | 96.2 |
13C chemical shifts | 614 | 607 | 98.9 |
15N chemical shifts | 149 | 131 | 87.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 264 | 263 | 99.6 |
13C chemical shifts | 262 | 261 | 99.6 |
15N chemical shifts | 129 | 128 | 99.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 597 | 565 | 94.6 |
13C chemical shifts | 352 | 346 | 98.3 |
15N chemical shifts | 20 | 3 | 15.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 53 | 53 | 100.0 |
13C chemical shifts | 53 | 53 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 66 | 62 | 93.9 |
13C chemical shifts | 66 | 60 | 90.9 |
Distance restraints
-10-------20--------30--------40--------50--------60--------70--------80--------90-------100-------1 ENKKQALKEKELGNDAYKKKDFDTALKHYDKAKELDPTNMTYITNQAAVYFEKGDYNKCRELCEKAIEVGRENREDYRQIAKAYARIGNSYFKEEKYKDA |||||||||||||||| ||||||||||||||| |||||||||||||| |||||||||||||||||||| ||||||||||||||||||||||||| ..KKQALKEKELGNDAYK...FDTALKHYDKAKELD...MTYITNQAAVYFEK.DYNKCRELCEKAIEVGRENR.DYRQIAKAYARIGNSYFKEEKYKDA 10-------120-------130--------- IHFYNKSLAEHRTPDVLKKCQQAEKILKEQE ||||||||||| ||||||||||||||||||| IHFYNKSLAEH.TPDVLKKCQQAEKILKEQE