WSA minor conformation
MAHHHHHHAM VIDHILKCVF DKICKIGTES VEAGRLIELS QEGGGGGGPL YFVVNVIEPC KKFSELTGLV FYLPTDSGEK MTESKSVLKS LTEKLKKIVE LIPSTSSAVP LIGKYMLFTK EFVESSIKIT EEVINTHHRS
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 74.5 % (1224 of 1643) | 83.0 % (705 of 849) | 59.3 % (389 of 656) | 94.2 % (130 of 138) |
Backbone | 80.1 % (665 of 830) | 93.0 % (266 of 286) | 66.5 % (272 of 409) | 94.1 % (127 of 135) |
Sidechain | 71.1 % (670 of 942) | 78.0 % (439 of 563) | 60.6 % (228 of 376) | 100.0 % (3 of 3) |
Aromatic | 30.0 % (36 of 120) | 50.0 % (30 of 60) | 10.0 % (6 of 60) | |
Methyl | 75.3 % (131 of 174) | 83.9 % (73 of 87) | 66.7 % (58 of 87) |
1. Nicotinic Acetylcholine Receptor
MAHHHHHHAM VIDHILKCVF DKICKIGTES VEAGRLIELS QEGGGGGGPL YFVVNVIEPC KKFSELTGLV FYLPTDSGEK MTESKSVLKS LTEKLKKIVE LIPSTSSAVP LIGKYMLFTK EFVESSIKIT EEVINTHHRSSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 20 mM | |
2 | LPPG | natural abundance | 2 % | |
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | [U-100% 2H] | 90 % | |
5 | Nicotinic_Acetylcholine_Receptor | [U-100% 2H] | 0.6 mM | |
6 | 2-Mercaptoethanol | [U-100% 2H] | 10 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 20 mM | |
2 | LPPG | natural abundance | 2 % | |
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | [U-100% 2H] | 90 % | |
5 | Nicotinic_Acetylcholine_Receptor | [U-100% 2H] | 0.6 mM | |
6 | 2-Mercaptoethanol | [U-100% 2H] | 10 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 20 mM | |
2 | LPPG | natural abundance | 2 % | |
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | [U-100% 2H] | 90 % | |
5 | Nicotinic_Acetylcholine_Receptor | [U-100% 2H] | 0.6 mM | |
6 | 2-Mercaptoethanol | [U-100% 2H] | 10 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 20 mM | |
2 | LPPG | natural abundance | 2 % | |
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | [U-100% 2H] | 90 % | |
5 | Nicotinic_Acetylcholine_Receptor | [U-100% 2H] | 0.6 mM | |
6 | 2-Mercaptoethanol | [U-100% 2H] | 10 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 20 mM | |
2 | LPPG | natural abundance | 2 % | |
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | [U-100% 2H] | 90 % | |
5 | Nicotinic_Acetylcholine_Receptor | [U-100% 2H] | 0.6 mM | |
6 | 2-Mercaptoethanol | [U-100% 2H] | 10 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 20 mM | |
2 | LPPG | natural abundance | 2 % | |
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | [U-100% 2H] | 90 % | |
5 | Nicotinic_Acetylcholine_Receptor | [U-100% 2H] | 0.6 mM | |
6 | 2-Mercaptoethanol | [U-100% 2H] | 10 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 20 mM | |
2 | LPPG | natural abundance | 2 % | |
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | [U-100% 2H] | 90 % | |
5 | Nicotinic_Acetylcholine_Receptor | [U-100% 2H] | 0.6 mM | |
6 | 2-Mercaptoethanol | [U-100% 2H] | 10 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 20 mM | |
2 | LPPG | natural abundance | 2 % | |
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | [U-100% 2H] | 90 % | |
5 | Nicotinic_Acetylcholine_Receptor | [U-100% 2H] | 0.6 mM | |
6 | 2-Mercaptoethanol | [U-100% 2H] | 10 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17992_2lkh.nef |
Input source #2: Coordindates | 2lkh.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 MAHHHHHHAMVIDHILKCVFDKICKIGTESVEAGRLIELSQEGGGGGGPLYFVVNVIEPCKKFSELTGLVFYLPTDSGEKMTESKSVLKSLTEKLKKIVE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MAHHHHHHAMVIDHILKCVFDKICKIGTESVEAGRLIELSQEGGGGGGPLYFVVNVIEPCKKFSELTGLVFYLPTDSGEKMTESKSVLKSLTEKLKKIVE -------110-------120-------130-------140 LIPSTSSAVPLIGKYMLFTKEFVESSIKITEEVINTHHRS |||||||||||||||||||||||||||||||||||||||| LIPSTSSAVPLIGKYMLFTKEFVESSIKITEEVINTHHRS
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 140 | 0 | 0 | 100.0 |
Content subtype: combined_17992_2lkh.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MAHHHHHHAMVIDHILKCVFDKICKIGTESVEAGRLIELSQEGGGGGGPLYFVVNVIEPCKKFSELTGLVFYLPTDSGEKMTESKSVLKSLTEKLKKIVE ||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||| .......HAMVIDHILKCVFDKICKIGTESVEAGRLIELSQEGG...GPLYFVVNVIEPCKKFSELTGLVFYLPTDSGEKMTESKSVLKSLTEKLKKIVE -------110-------120-------130-------140 LIPSTSSAVPLIGKYMLFTKEFVESSIKITEEVINTHHRS |||||||||||||||||||||||||||||||||||||||| LIPSTSSAVPLIGKYMLFTKEFVESSIKITEEVINTHHRS
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
35 | ARG | HH11 | 6.812 |
35 | ARG | NH1 | 87.786 |
130 | THR | HG1 | 1.222 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 849 | 687 | 80.9 |
13C chemical shifts | 656 | 334 | 50.9 |
15N chemical shifts | 140 | 126 | 90.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 286 | 256 | 89.5 |
13C chemical shifts | 280 | 129 | 46.1 |
15N chemical shifts | 135 | 122 | 90.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 563 | 431 | 76.6 |
13C chemical shifts | 376 | 205 | 54.5 |
15N chemical shifts | 5 | 4 | 80.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 91 | 78 | 85.7 |
13C chemical shifts | 91 | 54 | 59.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 60 | 27 | 45.0 |
13C chemical shifts | 60 | 1 | 1.7 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MAHHHHHHAMVIDHILKCVFDKICKIGTESVEAGRLIELSQEGGGGGGPLYFVVNVIEPCKKFSELTGLVFYLPTDSGEKMTESKSVLKSLTEKLKKIVE ||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||| .......HAMVIDHILKCVFDKICKIGTESVEAGRLIELSQEGG..GGPLYFVVNVIEPCKKFSELTGLVFYLPTDSGEKMTESKSVLKSLTEKLKKIVE -------110-------120-------130-------140 LIPSTSSAVPLIGKYMLFTKEFVESSIKITEEVINTHHRS ||| |||||||||||||||||||||||||||||||||||| LIP.TSSAVPLIGKYMLFTKEFVESSIKITEEVINTHHRS
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MAHHHHHHAMVIDHILKCVFDKICKIGTESVEAGRLIELSQEGGGGGGPLYFVVNVIEPCKKFSELTGLVFYLPTDSGEKMTESKSVLKSLTEKLKKIVE |||||||||||||||||||||||||||||||| |||||||||||||||||||||||| |||||||||||||||||||||| ........AMVIDHILKCVFDKICKIGTESVEAGRLIELS........PLYFVVNVIEPCKKFSELTGLVFY......EKMTESKSVLKSLTEKLKKIVE --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140 LIPSTSSAVPLIGKYMLFTKEFVESSIKITEEVINTHHRS | ||||||||||||||||||||||||||||||| L.....SAVPLIGKYMLFTKEFVESSIKITEEVINTH -------110-------120-------130-------