NMR structures of TM domain of the n-Acetylcholine receptor b2 subunit
MHHHHHHSTS VDLGTENLYF QSNARRKPLF YTINLIIPCV LITSLAILVF YLPSDCGEKM TLCISVLLAL TVFLLLISKI VPPTSLDVPL VGKYLMFTMV LVTFSIVTSV CVLNVHHRSP TTHTPRGGGG YVAMVIDRLF LWIFVFVCVF GTIGMFLQPL FQNY
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 71.5 % (1408 of 1969) | 77.6 % (774 of 998) | 61.2 % (494 of 807) | 85.4 % (140 of 164) |
Backbone | 74.0 % (715 of 966) | 85.7 % (281 of 328) | 62.1 % (300 of 483) | 86.5 % (134 of 155) |
Sidechain | 71.4 % (827 of 1158) | 73.6 % (493 of 670) | 68.5 % (328 of 479) | 66.7 % (6 of 9) |
Aromatic | 29.2 % (63 of 216) | 47.2 % (51 of 108) | 10.3 % (11 of 107) | 100.0 % (1 of 1) |
Methyl | 81.6 % (209 of 256) | 82.0 % (105 of 128) | 81.3 % (104 of 128) |
1. transmembrane domain of the n-acetylcholine receptor beta2 subunit
MHHHHHHSTS VDLGTENLYF QSNARRKPLF YTINLIIPCV LITSLAILVF YLPSDCGEKM TLCISVLLAL TVFLLLISKI VPPTSLDVPL VGKYLMFTMV LVTFSIVTSV CVLNVHHRSP TTHTPRGGGG YVAMVIDRLF LWIFVFVCVF GTIGMFLQPL FQNYSolvent system 50% HFIP/50% H2O, Pressure 1 atm, Temperature 313 K, pH 3.8, Details TM123 of n-AChR b2 subunit
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TM123 | [U-100% 13C; U-100% 15N] | 0.2 mM | |
2 | HFIP | natural abundance | 50 % | |
3 | H2O | natural abundance | 50 % |
Solvent system 50% HFIP/ 50% H2O, Pressure 1 atm, Temperature 313 K, pH 3.8, Details TM1234 of n-AChR b2 subunit
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | TM1234 | [U-100% 13C; U-100% 15N] | 0.2 mM | |
5 | HFIP | natural abundance | 50 % | |
6 | H2O | natural abundance | 50 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Bruker Avance - 900 MHz
State isotropic, Solvent system 50% HFIP/50% H2O, Pressure 1 atm, Temperature 313 K, pH 3.8, Details TM123 of n-AChR b2 subunit
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TM123 | [U-100% 13C; U-100% 15N] | 0.2 mM | |
2 | HFIP | natural abundance | 50 % | |
3 | H2O | natural abundance | 50 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 50% HFIP/50% H2O, Pressure 1 atm, Temperature 313 K, pH 3.8, Details TM123 of n-AChR b2 subunit
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TM123 | [U-100% 13C; U-100% 15N] | 0.2 mM | |
2 | HFIP | natural abundance | 50 % | |
3 | H2O | natural abundance | 50 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 50% HFIP/50% H2O, Pressure 1 atm, Temperature 313 K, pH 3.8, Details TM123 of n-AChR b2 subunit
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TM123 | [U-100% 13C; U-100% 15N] | 0.2 mM | |
2 | HFIP | natural abundance | 50 % | |
3 | H2O | natural abundance | 50 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 50% HFIP/50% H2O, Pressure 1 atm, Temperature 313 K, pH 3.8, Details TM123 of n-AChR b2 subunit
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TM123 | [U-100% 13C; U-100% 15N] | 0.2 mM | |
2 | HFIP | natural abundance | 50 % | |
3 | H2O | natural abundance | 50 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 50% HFIP/50% H2O, Pressure 1 atm, Temperature 313 K, pH 3.8, Details TM123 of n-AChR b2 subunit
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TM123 | [U-100% 13C; U-100% 15N] | 0.2 mM | |
2 | HFIP | natural abundance | 50 % | |
3 | H2O | natural abundance | 50 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 50% HFIP/50% H2O, Pressure 1 atm, Temperature 313 K, pH 3.8, Details TM123 of n-AChR b2 subunit
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TM123 | [U-100% 13C; U-100% 15N] | 0.2 mM | |
2 | HFIP | natural abundance | 50 % | |
3 | H2O | natural abundance | 50 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 50% HFIP/50% H2O, Pressure 1 atm, Temperature 313 K, pH 3.8, Details TM123 of n-AChR b2 subunit
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TM123 | [U-100% 13C; U-100% 15N] | 0.2 mM | |
2 | HFIP | natural abundance | 50 % | |
3 | H2O | natural abundance | 50 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 50% HFIP/50% H2O, Pressure 1 atm, Temperature 313 K, pH 3.8, Details TM123 of n-AChR b2 subunit
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TM123 | [U-100% 13C; U-100% 15N] | 0.2 mM | |
2 | HFIP | natural abundance | 50 % | |
3 | H2O | natural abundance | 50 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 50% HFIP/50% H2O, Pressure 1 atm, Temperature 313 K, pH 3.8, Details TM123 of n-AChR b2 subunit
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TM123 | [U-100% 13C; U-100% 15N] | 0.2 mM | |
2 | HFIP | natural abundance | 50 % | |
3 | H2O | natural abundance | 50 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 50% HFIP/ 50% H2O, Pressure 1 atm, Temperature 313 K, pH 3.8, Details TM1234 of n-AChR b2 subunit
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | TM1234 | [U-100% 13C; U-100% 15N] | 0.2 mM | |
5 | HFIP | natural abundance | 50 % | |
6 | H2O | natural abundance | 50 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 50% HFIP/ 50% H2O, Pressure 1 atm, Temperature 313 K, pH 3.8, Details TM1234 of n-AChR b2 subunit
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | TM1234 | [U-100% 13C; U-100% 15N] | 0.2 mM | |
5 | HFIP | natural abundance | 50 % | |
6 | H2O | natural abundance | 50 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 50% HFIP/ 50% H2O, Pressure 1 atm, Temperature 313 K, pH 3.8, Details TM1234 of n-AChR b2 subunit
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | TM1234 | [U-100% 13C; U-100% 15N] | 0.2 mM | |
5 | HFIP | natural abundance | 50 % | |
6 | H2O | natural abundance | 50 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 50% HFIP/ 50% H2O, Pressure 1 atm, Temperature 313 K, pH 3.8, Details TM1234 of n-AChR b2 subunit
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | TM1234 | [U-100% 13C; U-100% 15N] | 0.2 mM | |
5 | HFIP | natural abundance | 50 % | |
6 | H2O | natural abundance | 50 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 50% HFIP/ 50% H2O, Pressure 1 atm, Temperature 313 K, pH 3.8, Details TM1234 of n-AChR b2 subunit
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | TM1234 | [U-100% 13C; U-100% 15N] | 0.2 mM | |
5 | HFIP | natural abundance | 50 % | |
6 | H2O | natural abundance | 50 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16672_2ksr.nef |
Input source #2: Coordindates | 2ksr.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 MHHHHHHSTSVDLGTENLYFQSNARRKPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKYLMFTMV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MHHHHHHSTSVDLGTENLYFQSNARRKPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKYLMFTMV -------110-------120-------130-------140-------150-------160---- LVTFSIVTSVCVLNVHHRSPTTHTPRGGGGYVAMVIDRLFLWIFVFVCVFGTIGMFLQPLFQNY |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| LVTFSIVTSVCVLNVHHRSPTTHTPRGGGGYVAMVIDRLFLWIFVFVCVFGTIGMFLQPLFQNY
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 164 | 0 | 0 | 100.0 |
Content subtype: combined_16672_2ksr.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MHHHHHHSTSVDLGTENLYFQSNARRKPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKYLMFTMV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ........................RRKPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKYLMFTMV -------110-------120-------130-------140-------150-------160---- LVTFSIVTSVCVLNVHHRSPTTHTPRGGGGYVAMVIDRLFLWIFVFVCVFGTIGMFLQPLFQNY |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| LVTFSIVTSVCVLNVHHRSPTTHTPRGGGGYVAMVIDRLFLWIFVFVCVFGTIGMFLQPLFQNY
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 998 | 750 | 75.2 |
13C chemical shifts | 807 | 458 | 56.8 |
15N chemical shifts | 169 | 134 | 79.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 328 | 271 | 82.6 |
13C chemical shifts | 328 | 139 | 42.4 |
15N chemical shifts | 155 | 128 | 82.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 670 | 479 | 71.5 |
13C chemical shifts | 479 | 319 | 66.6 |
15N chemical shifts | 14 | 6 | 42.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 134 | 108 | 80.6 |
13C chemical shifts | 134 | 105 | 78.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 108 | 49 | 45.4 |
13C chemical shifts | 107 | 11 | 10.3 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MHHHHHHSTSVDLGTENLYFQSNARRKPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKYLMFTMV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ........................RRKPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKYLMFTMV -------110-------120-------130-------140-------150-------160---- LVTFSIVTSVCVLNVHHRSPTTHTPRGGGGYVAMVIDRLFLWIFVFVCVFGTIGMFLQPLFQNY |||||||||||||||| ||||| ||| ||||||||||||||||||||||||||||||||||| LVTFSIVTSVCVLNVH.RSPTT.TPR...GYVAMVIDRLFLWIFVFVCVFGTIGMFLQPLFQNY
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MHHHHHHSTSVDLGTENLYFQSNARRKPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKYLMFTMV ||||||||||||||||||||||||| ||||||||||||||||||||||||| |||||||||||| ...........................PLFYTINLIIPCVLITSLAILVFYL...CGEKMTLCISVLLALTVFLLLISKI........PLVGKYLMFTMV --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160---- LVTFSIVTSVCVLNVHHRSPTTHTPRGGGGYVAMVIDRLFLWIFVFVCVFGTIGMFLQPLFQNY |||||||||||||||| |||||||||||||||||||||||||||||| LVTFSIVTSVCVLNVH.............GYVAMVIDRLFLWIFVFVCVFGTIGMFLQP -------110-------120-------130-------140-------150---------