NMR structures of the transmembrane domains of the AChR b2 subunit
SNAEEEPLFY TINLIIPCVL ITSLAILVFY LPSDCGEKMT LCISVLLALT VFLLLISKIV PPTSSDSPSV GEYLMFTMVL VTFSIVTSVC VLNVHHRSPE THTGGGGGID RLFLWIFVFV CVFGTIGMFL QPLFQEE
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 82.3 % (1325 of 1610) | 78.9 % (642 of 814) | 84.0 % (555 of 661) | 94.8 % (128 of 135) |
Backbone | 94.7 % (763 of 806) | 94.9 % (261 of 275) | 93.5 % (376 of 402) | 97.7 % (126 of 129) |
Sidechain | 73.0 % (680 of 932) | 70.7 % (381 of 539) | 76.7 % (297 of 387) | 33.3 % (2 of 6) |
Aromatic | 27.2 % (43 of 158) | 29.1 % (23 of 79) | 25.6 % (20 of 78) | 0.0 % (0 of 1) |
Methyl | 86.1 % (186 of 216) | 86.1 % (93 of 108) | 86.1 % (93 of 108) |
1. entity
SNAEEEPLFY TINLIIPCVL ITSLAILVFY LPSDCGEKMT LCISVLLALT VFLLLISKIV PPTSSDSPSV GEYLMFTMVL VTFSIVTSVC VLNVHHRSPE THTGGGGGID RLFLWIFVFV CVFGTIGMFL QPLFQEESolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.65
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | nAChR | [U-100% 13C; U-100% 15N] | 0.25 mM | |
2 | sodium acetate | natural abundance | 5 mM | |
3 | LDAO | natural abundance | 1.5 % | |
4 | DSS | natural abundance | 0.1 mM | |
5 | D2O | [U-100% 2H] | 5 % | |
6 | sodium chloride | natural abundance | 10 mM | |
7 | beta-mercaptoethanol | natural abundance | 20 mM | |
8 | H2O | natural abundance | 95 % |
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 - 900 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.65
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | nAChR | [U-100% 13C; U-100% 15N] | 0.25 mM | |
2 | sodium acetate | natural abundance | 5 mM | |
3 | LDAO | natural abundance | 1.5 % | |
4 | DSS | natural abundance | 0.1 mM | |
5 | D2O | [U-100% 2H] | 5 % | |
6 | sodium chloride | natural abundance | 10 mM | |
7 | beta-mercaptoethanol | natural abundance | 20 mM | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.65
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | nAChR | [U-100% 13C; U-100% 15N] | 0.25 mM | |
2 | sodium acetate | natural abundance | 5 mM | |
3 | LDAO | natural abundance | 1.5 % | |
4 | DSS | natural abundance | 0.1 mM | |
5 | D2O | [U-100% 2H] | 5 % | |
6 | sodium chloride | natural abundance | 10 mM | |
7 | beta-mercaptoethanol | natural abundance | 20 mM | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.65
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | nAChR | [U-100% 13C; U-100% 15N] | 0.25 mM | |
2 | sodium acetate | natural abundance | 5 mM | |
3 | LDAO | natural abundance | 1.5 % | |
4 | DSS | natural abundance | 0.1 mM | |
5 | D2O | [U-100% 2H] | 5 % | |
6 | sodium chloride | natural abundance | 10 mM | |
7 | beta-mercaptoethanol | natural abundance | 20 mM | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.65
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | nAChR | [U-100% 13C; U-100% 15N] | 0.25 mM | |
2 | sodium acetate | natural abundance | 5 mM | |
3 | LDAO | natural abundance | 1.5 % | |
4 | DSS | natural abundance | 0.1 mM | |
5 | D2O | [U-100% 2H] | 5 % | |
6 | sodium chloride | natural abundance | 10 mM | |
7 | beta-mercaptoethanol | natural abundance | 20 mM | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.65
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | nAChR | [U-100% 13C; U-100% 15N] | 0.25 mM | |
2 | sodium acetate | natural abundance | 5 mM | |
3 | LDAO | natural abundance | 1.5 % | |
4 | DSS | natural abundance | 0.1 mM | |
5 | D2O | [U-100% 2H] | 5 % | |
6 | sodium chloride | natural abundance | 10 mM | |
7 | beta-mercaptoethanol | natural abundance | 20 mM | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.65
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | nAChR | [U-100% 13C; U-100% 15N] | 0.25 mM | |
2 | sodium acetate | natural abundance | 5 mM | |
3 | LDAO | natural abundance | 1.5 % | |
4 | DSS | natural abundance | 0.1 mM | |
5 | D2O | [U-100% 2H] | 5 % | |
6 | sodium chloride | natural abundance | 10 mM | |
7 | beta-mercaptoethanol | natural abundance | 20 mM | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.65
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | nAChR | [U-100% 13C; U-100% 15N] | 0.25 mM | |
2 | sodium acetate | natural abundance | 5 mM | |
3 | LDAO | natural abundance | 1.5 % | |
4 | DSS | natural abundance | 0.1 mM | |
5 | D2O | [U-100% 2H] | 5 % | |
6 | sodium chloride | natural abundance | 10 mM | |
7 | beta-mercaptoethanol | natural abundance | 20 mM | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.65
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | nAChR | [U-100% 13C; U-100% 15N] | 0.25 mM | |
2 | sodium acetate | natural abundance | 5 mM | |
3 | LDAO | natural abundance | 1.5 % | |
4 | DSS | natural abundance | 0.1 mM | |
5 | D2O | [U-100% 2H] | 5 % | |
6 | sodium chloride | natural abundance | 10 mM | |
7 | beta-mercaptoethanol | natural abundance | 20 mM | |
8 | H2O | natural abundance | 95 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18096_2lm2.nef |
Input source #2: Coordindates | 2lm2.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 SNAEEEPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSSDSPSVGEYLMFTMVLVTFSIVTSVCVLNVHHRSPE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SNAEEEPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSSDSPSVGEYLMFTMVLVTFSIVTSVCVLNVHHRSPE -------110-------120-------130------- THTGGGGGIDRLFLWIFVFVCVFGTIGMFLQPLFQEE ||||||||||||||||||||||||||||||||||||| THTGGGGGIDRLFLWIFVFVCVFGTIGMFLQPLFQEE
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 137 | 0 | 0 | 100.0 |
Content subtype: combined_18096_2lm2.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 SNAEEEPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSSDSPSVGEYLMFTMVLVTFSIVTSVCVLNVHHRSPE ||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SNAEEEPLFYTINLI.PCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSSDSPSVGEYLMFTMVLVTFSIVTSVCVLNVHHRSPE -------110-------120-------130------- THTGGGGGIDRLFLWIFVFVCVFGTIGMFLQPLFQEE ||||||||||||||||||||||||||||||||||||| THTGGGGGIDRLFLWIFVFVCVFGTIGMFLQPLFQEE
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 814 | 630 | 77.4 |
13C chemical shifts | 661 | 552 | 83.5 |
15N chemical shifts | 137 | 127 | 92.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 275 | 261 | 94.9 |
13C chemical shifts | 274 | 259 | 94.5 |
15N chemical shifts | 129 | 125 | 96.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 539 | 369 | 68.5 |
13C chemical shifts | 387 | 293 | 75.7 |
15N chemical shifts | 8 | 2 | 25.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 112 | 95 | 84.8 |
13C chemical shifts | 112 | 95 | 84.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 79 | 20 | 25.3 |
13C chemical shifts | 78 | 20 | 25.6 |
15N chemical shifts | 1 | 0 | 0.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 SNAEEEPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSSDSPSVGEYLMFTMVLVTFSIVTSVCVLNVHHRSPE |||||||||||| ||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||| |||| ...EEEPLFYTINLI.PCVLITSLAILVFYL..DCGEKMTLCISVLLALTVFLLLISKIVPPTSSDSPSVGEYLMFTMVLVTFSIVTSV.VLNVH.RSPE -------110-------120-------130------- THTGGGGGIDRLFLWIFVFVCVFGTIGMFLQPLFQEE ||||||||||||||||||||||||||||||||||||| THTGGGGGIDRLFLWIFVFVCVFGTIGMFLQPLFQEE
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 SNAEEEPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSSDSPSVGEYLMFTMVLVTFSIVTSVCVLNVHHRSPE ||||||||||||||||||||||| |||||||||||||||||||||||| ||||||||||||||||||||||| ........FYTINLIIPCVLITSLAILVFYL....GEKMTLCISVLLALTVFLLLISKI..........VGEYLMFTMVLVTFSIVTSVCVL........ --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130------- THTGGGGGIDRLFLWIFVFVCVFGTIGMFLQPLFQEE ||||||||||||||||||||| .........DRLFLWIFVFVCVFGTIGMFL -------110-------120-------130
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 SNAEEEPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSSDSPSVGEYLMFTMVLVTFSIVTSVCVLNVHHRSPE |||||||| |||||||||||||| |||||||||||||||||||||||| ||||||||||||||||||||||| ........FYTINLII.CVLITSLAILVFYL....GEKMTLCISVLLALTVFLLLISKI..........VGEYLMFTMVLVTFSIVTSVCVL........ --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130------- THTGGGGGIDRLFLWIFVFVCVFGTIGMFLQPLFQEE ||||||||||||||||||||| .........DRLFLWIFVFVCVFGTIGMFL -------110-------120-------130
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 SNAEEEPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSSDSPSVGEYLMFTMVLVTFSIVTSVCVLNVHHRSPE ||||||||||||||||||||||||| |||||||||||||||||||||||||| ||||||||||||||||||||||||| ......PLFYTINLIIPCVLITSLAILVFYL..DCGEKMTLCISVLLALTVFLLLISKI.........SVGEYLMFTMVLVTFSIVTSVCVLN....... --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130------- THTGGGGGIDRLFLWIFVFVCVFGTIGMFLQPLFQEE ||||||||||||||||||||||||||| .......GIDRLFLWIFVFVCVFGTIGMFLQPLF -------110-------120-------130----