TrkA transmembrane domain NMR structure in DPC micelles
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 87.1 % (400 of 459) | 89.4 % (211 of 236) | 82.5 % (151 of 183) | 95.0 % (38 of 40) |
Backbone | 91.4 % (212 of 232) | 95.0 % (76 of 80) | 87.7 % (100 of 114) | 94.7 % (36 of 38) |
Sidechain | 83.3 % (219 of 263) | 86.5 % (135 of 156) | 78.1 % (82 of 105) | 100.0 % (2 of 2) |
Aromatic | 60.0 % (18 of 30) | 100.0 % (15 of 15) | 20.0 % (3 of 15) | |
Methyl | 100.0 % (60 of 60) | 100.0 % (30 of 30) | 100.0 % (30 of 30) |
1. entity
MKKDETPFGV SVAVGLAVFA CLFLSTLLLV LNKAGRRNKSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 5.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | entity | natural abundance | 1 mM | |
3 | DPC | [U-100% 2H] | 40 mM | |
4 | potassium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 5.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | entity | natural abundance | 1 mM | |
3 | DPC | [U-100% 2H] | 40 mM | |
4 | potassium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 5.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | entity | natural abundance | 1 mM | |
3 | DPC | [U-100% 2H] | 40 mM | |
4 | potassium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 5.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | entity | natural abundance | 1 mM | |
3 | DPC | [U-100% 2H] | 40 mM | |
4 | potassium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 5.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | entity | natural abundance | 1 mM | |
3 | DPC | [U-100% 2H] | 40 mM | |
4 | potassium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 5.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | entity | natural abundance | 1 mM | |
3 | DPC | [U-100% 2H] | 40 mM | |
4 | potassium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 5.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | entity | natural abundance | 1 mM | |
3 | DPC | [U-100% 2H] | 40 mM | |
4 | potassium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 5.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | entity | natural abundance | 1 mM | |
3 | DPC | [U-100% 2H] | 40 mM | |
4 | potassium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 5.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | entity | natural abundance | 1 mM | |
3 | DPC | [U-100% 2H] | 40 mM | |
4 | potassium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 5.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | entity | natural abundance | 1 mM | |
3 | DPC | [U-100% 2H] | 40 mM | |
4 | potassium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_25872_2n90.nef |
Input source #2: Coordindates | 2n90.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--------- MKKDETPFGVSVAVGLAVFACLFLSTLLLVLNKAGRRNK ||||||||||||||||||||||||||||||||||||||| MKKDETPFGVSVAVGLAVFACLFLSTLLLVLNKAGRRNK
-------110-------120-------130--------- MKKDETPFGVSVAVGLAVFACLFLSTLLLVLNKAGRRNK ||||||||||||||||||||||||||||||||||||||| MKKDETPFGVSVAVGLAVFACLFLSTLLLVLNKAGRRNK --------10--------20--------30---------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 39 | 0 | 0 | 100.0 |
B | B | 39 | 0 | 0 | 100.0 |
Content subtype: combined_25872_2n90.nef
Assigned chemical shifts
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 236 | 217 | 91.9 |
15N chemical shifts | 42 | 37 | 88.1 |
13C chemical shifts | 183 | 154 | 84.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 80 | 76 | 95.0 |
15N chemical shifts | 38 | 35 | 92.1 |
13C chemical shifts | 78 | 71 | 91.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 156 | 141 | 90.4 |
15N chemical shifts | 4 | 2 | 50.0 |
13C chemical shifts | 105 | 83 | 79.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 31 | 30 | 96.8 |
13C chemical shifts | 31 | 30 | 96.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 15 | 15 | 100.0 |
13C chemical shifts | 15 | 3 | 20.0 |
Distance restraints
--------10--------20--------30--------- MKKDETPFGVSVAVGLAVFACLFLSTLLLVLNKAGRRNK || |||||||||||||||||||||||||||||| | ....ET.FGVSVAVGLAVFACLFLSTLLLVLNKAGRR.K
--------10--------20--------30--------- MKKDETPFGVSVAVGLAVFACLFLSTLLLVLNKAGRRNK |||||||||||||||||||||||||||||||||| || ..KDETPFGVSVAVGLAVFACLFLSTLLLVLNKAGR.NK
--------10--------20--------30--------- MKKDETPFGVSVAVGLAVFACLFLSTLLLVLNKAGRRNK ||||||||||||||||||||||||| .........VSVAVGLAVFACLFLSTLLLVLNKA --------10--------20--------30----