NMR structures of the alpha7 nAChR transmembrane domain.
SNAEEELYYG LNLLIPCVLI SALALLVFLL PADSGEKISL GITVLLSLTV FMLLVAEIMP STSDSSPSIA QYFASTMIIV GLSVVVTVIV LQYHHHDPDG GEGGGEGIDR LCLMAFSVFT IICTIGILMS APNFVEE
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 75.6 % (1162 of 1538) | 71.6 % (554 of 774) | 76.1 % (478 of 628) | 95.6 % (130 of 136) |
Backbone | 90.9 % (736 of 810) | 93.9 % (262 of 279) | 87.3 % (349 of 400) | 95.4 % (125 of 131) |
Sidechain | 62.4 % (533 of 854) | 59.0 % (292 of 495) | 66.7 % (236 of 354) | 100.0 % (5 of 5) |
Aromatic | 34.6 % (36 of 104) | 38.5 % (20 of 52) | 30.8 % (16 of 52) | |
Methyl | 79.5 % (178 of 224) | 81.3 % (91 of 112) | 77.7 % (87 of 112) |
1. entity
SNAEEELYYG LNLLIPCVLI SALALLVFLL PADSGEKISL GITVLLSLTV FMLLVAEIMP STSDSSPSIA QYFASTMIIV GLSVVVTVIV LQYHHHDPDG GEGGGEGIDR LCLMAFSVFT IICTIGILMS APNFVEESolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | alpha7 nAChR transmembrane domain | [U-100% 13C; U-100% 15N] | 0.25 mM | |
2 | NaCl | natural abundacne | 10 mM | |
3 | sodium acetate buffer | natural abundacne | 5 mM |
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 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | alpha7 nAChR transmembrane domain | [U-100% 13C; U-100% 15N] | 0.25 mM | |
2 | NaCl | natural abundacne | 10 mM | |
3 | sodium acetate buffer | natural abundacne | 5 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | alpha7 nAChR transmembrane domain | [U-100% 13C; U-100% 15N] | 0.25 mM | |
2 | NaCl | natural abundacne | 10 mM | |
3 | sodium acetate buffer | natural abundacne | 5 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | alpha7 nAChR transmembrane domain | [U-100% 13C; U-100% 15N] | 0.25 mM | |
2 | NaCl | natural abundacne | 10 mM | |
3 | sodium acetate buffer | natural abundacne | 5 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | alpha7 nAChR transmembrane domain | [U-100% 13C; U-100% 15N] | 0.25 mM | |
2 | NaCl | natural abundacne | 10 mM | |
3 | sodium acetate buffer | natural abundacne | 5 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | alpha7 nAChR transmembrane domain | [U-100% 13C; U-100% 15N] | 0.25 mM | |
2 | NaCl | natural abundacne | 10 mM | |
3 | sodium acetate buffer | natural abundacne | 5 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | alpha7 nAChR transmembrane domain | [U-100% 13C; U-100% 15N] | 0.25 mM | |
2 | NaCl | natural abundacne | 10 mM | |
3 | sodium acetate buffer | natural abundacne | 5 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | alpha7 nAChR transmembrane domain | [U-100% 13C; U-100% 15N] | 0.25 mM | |
2 | NaCl | natural abundacne | 10 mM | |
3 | sodium acetate buffer | natural abundacne | 5 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19379_2maw.nef |
Input source #2: Coordindates | 2maw.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 SNAEEELYYGLNLLIPCVLISALALLVFLLPADSGEKISLGITVLLSLTVFMLLVAEIMPSTSDSSPSIAQYFASTMIIVGLSVVVTVIVLQYHHHDPDG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SNAEEELYYGLNLLIPCVLISALALLVFLLPADSGEKISLGITVLLSLTVFMLLVAEIMPSTSDSSPSIAQYFASTMIIVGLSVVVTVIVLQYHHHDPDG -------110-------120-------130------- GEGGGEGIDRLCLMAFSVFTIICTIGILMSAPNFVEE ||||||||||||||||||||||||||||||||||||| GEGGGEGIDRLCLMAFSVFTIICTIGILMSAPNFVEE
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_19379_2maw.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 SNAEEELYYGLNLLIPCVLISALALLVFLLPADSGEKISLGITVLLSLTVFMLLVAEIMPSTSDSSPSIAQYFASTMIIVGLSVVVTVIVLQYHHHDPDG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .NAEEELYYGLNLLIPCVLISALALLVFLLPADSGEKISLGITVLLSLTVFMLLVAEIMPSTSDSSPSIAQYFASTMIIVGLSVVVTVIVLQYHHHDPDG -------110-------120-------130------- GEGGGEGIDRLCLMAFSVFTIICTIGILMSAPNFVEE ||||||||||||||||||||||||||||||||||||| GEGGGEGIDRLCLMAFSVFTIICTIGILMSAPNFVEE
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 774 | 534 | 69.0 |
13C chemical shifts | 628 | 473 | 75.3 |
15N chemical shifts | 137 | 128 | 93.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 279 | 259 | 92.8 |
13C chemical shifts | 274 | 239 | 87.2 |
15N chemical shifts | 131 | 123 | 93.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 495 | 275 | 55.6 |
13C chemical shifts | 354 | 234 | 66.1 |
15N chemical shifts | 6 | 5 | 83.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 117 | 89 | 76.1 |
13C chemical shifts | 117 | 89 | 76.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 52 | 18 | 34.6 |
13C chemical shifts | 52 | 16 | 30.8 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 SNAEEELYYGLNLLIPCVLISALALLVFLLPADSGEKISLGITVLLSLTVFMLLVAEIMPSTSDSSPSIAQYFASTMIIVGLSVVVTVIVLQYHHHDPDG ||||||||||||||||||| ||||||||||||||| || ||||||||||||||||||||||||||||||||||||||||| ||||||||| ||||| ...EEELYYGLNLLIPCVLISA.ALLVFLLPADSGEKI.LG.TVLLSLTVFMLLVAEIMPSTSDSSPSIAQYFASTMIIVGLS.VVTVIVLQY..HDPDG -------110-------120-------130------- GEGGGEGIDRLCLMAFSVFTIICTIGILMSAPNFVEE ||||||||||||||||||||||||||||||||||||| GEGGGEGIDRLCLMAFSVFTIICTIGILMSAPNFVEE
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 SNAEEELYYGLNLLIPCVLISALALLVFLLPADSGEKISLGITVLLSLTVFMLLVAEIMPSTSDSSPSIAQYFASTMIIVGLSVVVTVIVLQYHHHDPDG ||||||||||||||||||||||| || |||||||||||||||||||||||| ||||||||||||||||||||||||| ...EEELYYGLNLLIPCVLISALALL.FL.....GEKISLGITVLLSLTVFMLLVAEI..........IAQYFASTMIIVGLSVVVTVIVLQY....... --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130------- GEGGGEGIDRLCLMAFSVFTIICTIGILMSAPNFVEE ||||||||||||||||||||||| ......GIDRLCLMAFSVFTIICTIGILM -------110-------120---------
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 SNAEEELYYGLNLLIPCVLISALALLVFLLPADSGEKISLGITVLLSLTVFMLLVAEIMPSTSDSSPSIAQYFASTMIIVGLSVVVTVIVLQYHHHDPDG |||||||||||||||||||||||||||| ||||||||||||||||||||||||||| ||||||||||||||||||||||||||| ..AEEELYYGLNLLIPCVLISALALLVFLL..DSGEKISLGITVLLSLTVFMLLVAEIM........SIAQYFASTMIIVGLSVVVTVIVLQYH...... --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130------- GEGGGEGIDRLCLMAFSVFTIICTIGILMSAPNFVEE |||||||||||||||||||||||||| .....EGIDRLCLMAFSVFTIICTIGILMSA -------110-------120-------130-