BMRB Entry 30939

Title:
Structures of the Intracellular Domain and Transmembrane Domain of the Human alpha7 Nicotinic Acetylcholine Receptors
Deposition date:
2021-08-03
Original release date:
2022-01-14
Authors:
Bondarenko, V.; Chen, Q.; Tang, P.
Citation:

Citation: Bondarenko, Vasyl; Wells, Marta; Chen, Qiang; Tillman, Tommy; Singewald, Kevin; Lawless, Matthew; Caporoso, Joel; Brandon, Nicole; Coleman, Jonathan; Saxena, Sunil; Lindahl, Erik; Xu, Yan; Tang, Pei. "Structures of highly flexible intracellular domain of human alpha7 nicotinic acetylcholine receptor"  Nat. Commun. 13, 793-793 (2022).
PubMed: 35145092

Assembly members:

Assembly members:
entity_1, polymer, 272 residues, 29831.779 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pTBSG1-TMD+ICD

Data sets:
Data typeCount
13C chemical shifts764
15N chemical shifts239
1H chemical shifts1110

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11
2unit_21
3unit_31
4unit_41
5unit_51

Entities:

Entity 1, unit_1 272 residues - 29831.779 Da.

1   SERASNALAGLUGLUGLULEUTYRTYRGLY
2   LEUASNLEULEUILEPROCYSVALLEUILE
3   SERALALEUALALEULEUVALPHELEULEU
4   PROALAASPSERGLYGLULYSILESERLEU
5   GLYILETHRVALLEULEUSERLEUTHRVAL
6   PHEMETLEULEUVALALAGLUILEMETPRO
7   SERTHRSERASPSERSERPROSERILEALA
8   GLNTYRPHEALASERTHRMETILEILEVAL
9   GLYLEUSERVALVALVALTHRVALILEVAL
10   LEUGLNTYRHISHISHISASPPROASPGLY
11   GLYLYSMETPROLYSTRPTHRARGVALILE
12   LEULEUASNTRPCYSALATRPPHELEUARG
13   METLYSARGPROGLYGLUASPLYSVALARG
14   PROALACYSGLNHISLYSGLNARGARGCYS
15   SERLEUALASERVALGLUMETSERALAVAL
16   ALAPROPROPROALASERASNGLYASNLEU
17   LEUTYRILEGLYPHEARGGLYLEUASPGLY
18   VALHISCYSVALPROTHRPROASPSERGLY
19   VALVALCYSGLYARGMETALACYSSERPRO
20   THRHISASPGLUHISLEULEUHISGLYGLY
21   GLNPROPROGLUGLYASPPROASPLEUALA
22   LYSILELEUGLUGLUVALARGTYRILEALA
23   ASNARGPHEARGCYSGLNASPGLUSERGLU
24   ALAVALCYSSERGLUTRPLYSPHEALAALA
25   CYSVALVALASPARGLEUCYSLEUMETALA
26   PHESERVALPHETHRILEILECYSTHRILE
27   GLYILELEUMETSERALAPROASNPHEVAL
28   GLUGLU

Samples:

sample_1: alpha7nAChR TMD+ICD, [U-13C; U-15N], 0.24 ± 0.01 mM; sodium acetate 5 mM; LDAO 66 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_2: alpha7nAChR C317 TMD+ICD, [U-13C; U-15N], 0.25 ± 0.01 mM; sodium acetate 5 mM; LDAO 44 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_3: alpha7nAChR C317 TMD+ICD, [U-13C; U-15N], 0.25 ± 0.01 mM; sodium acetate 5 mM; LDAO 44 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_4: alpha7nAChR C317 TMD+ICD, [U-15N], 0.35 ± 0.01 mM; sodium acetate 5 mM; LDAO 66 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_5: V311C-MTSL alpha7nAChR TMD+ICD, [U-15N], 0.22 ± 0.01 mM; sodium acetate 5 mM; LDAO 44 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_6: C317-MTSL alpha7nAChR TMD+ICD, [U-15N], 0.22 ± 0.01 mM; sodium acetate 5 mM; LDAO 44 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_7: C335-MTSL alpha7nAChR TMD+ICD, [U-15N], 0.3 ± 0.01 mM; sodium acetate 5 mM; LDAO 53 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_8: C342-MTSL alpha7nAChR TMD+ICD, [U-15N], 0.3 ± 0.01 mM; sodium acetate 5 mM; LDAO 66 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_9: S350C-MTSL alpha7nAChR TMD+ICD, [U-15N], 0.3 ± 0.01 mM; sodium acetate 5 mM; LDAO 53 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_10: S358C-MTSL alpha7nAChR TMD+ICD, [U-15N], 0.25 ± 0.01 mM; sodium acetate 5 mM; LDAO 44 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_11: C375-MTSL alpha7nAChR TMD+ICD, [U-15N], 0.25 ± 0.01 mM; sodium acetate 5 mM; LDAO 66 mM; NaCl 20 mM; D2O 5%; DSS 20 uM

sample_12: C390-MTSL alpha7nAChR TMD+ICD, [U-15N], 0.22 ± 0.01 mM; sodium acetate 5 mM; LDAO 53 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_13: L415C-MTSL alpha7nAChR TMD+ICD, [U-15N], 0.25 ± 0.01 mM; sodium acetate 5 mM; LDAO 44 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_14: C427-MTSL alpha7nAChR TMD+ICD, [U-15N], 0.25 ± 0.01 mM; sodium acetate 5 mM; LDAO 44 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_15: C435-MTSL alpha7nAChR TMD+ICD, [U-15N], 0.25 ± 0.01 mM; sodium acetate 5 mM; LDAO 44 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_16: V311C-MTSL alpha7 TMD-ICD 0.28 ± 0.01 mM; V311C alpha7 TMD-ICD, [U-15N], 0.07 ± 0.005 mM; sodium acetate 5 mM; LDAO 44 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_17: C427-MTSL alpha7 TMD-ICD 0.24 ± 0.01 mM; C427 alpha7 TMD-ICD, [U-15N], 0.06 ± 0.005 mM; sodium acetate 5 mM; LDAO 44 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_18: V311C-MTSL alpha7 TMD-ICD, [U-15N], 0.07 ± 0.005 mM; V311C alpha7 TMD-ICD 0.28 ± 0.01 mM; sodium acetate 5 mM; LDAO 44 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_19: C427-MTSL alpha7 TMD-ICD, [U-15N], 0.06 ± 0.005 mM; C427 alpha7 TMD-ICD 0.24 ± 0.01 mM; sodium acetate 5 mM; LDAO 44 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_20: C427-EDTA-Lu3+ alpha7 TMD-ICD, [U-15N], 0.25 ± 0.01 mM; sodium acetate 5 mM; LDAO 53 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_21: C427-EDTA-Tm3+ alpha7 TMD-ICD, [U-15N], 0.2 ± 0.01 mM; sodium acetate 5 mM; LDAO 66 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_22: C317-EDTA-Lu3+ alpha7 TMD-ICD, [U-15N], 0.25 ± 0.01 mM; sodium acetate 5 mM; LDAO 66 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_23: C317-EDTA-Tm3+ alpha7 TMD-ICD, [U-15N], 0.25 ± 0.01 mM; sodium acetate 5 mM; LDAO 53 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_24: C219-EDTA-Lu3+ alpha7 TMD-ICD, [U-15N], 0.24 ± 0.01 mM; sodium acetate 5 mM; LDAO 44 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_25: C219-EDTA-Tm3+ alpha7 TMD-ICD, [U-15N], 0.22 ± 0.01 mM; sodium acetate 5 mM; LDAO 53 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_26: alpha7nAChR C317 TMD+ICD, [U-13C; U-15N], 0.35 ± 0.01 mM; sodium acetate 5 mM; LDAO 44 mM; NaCl 25 mM; D2O 5%; DSS 20 uM

sample_conditions_1: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_3: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_4: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_5: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_6: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_7: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_8: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_9: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_10: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_11: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_12: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_13: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_14: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_15: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_16: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_17: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_18: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_19: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_2: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_20: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 308 K

sample_conditions_21: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 308 K

sample_conditions_22: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 308 K

sample_conditions_23: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 308 K

sample_conditions_24: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 308 K

sample_conditions_25: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 308 K

sample_conditions_26: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 318 K

sample_conditions_27: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 298 K

sample_conditions_28: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 298 K

sample_conditions_29: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 298 K

sample_conditions_30: ionic strength: 25 mM; pH: 4.7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSY-HSQCsample_1isotropicsample_conditions_1
3D BEST-HNCAsample_1isotropicsample_conditions_1
3D BEST-HN(CO)CAsample_1isotropicsample_conditions_1
3D TROSY-CBCACONHsample_1isotropicsample_conditions_1
3D BEST-HNCOsample_1isotropicsample_conditions_1
2D 1H-15N TROSY-HSQCsample_2isotropicsample_conditions_2
3D TROSY-HNCAsample_2isotropicsample_conditions_2
3D TROSY-HN(CO)CAsample_2isotropicsample_conditions_2
3D TROSY-HNCACBsample_2isotropicsample_conditions_2
3D TROSY-CBCACONHsample_2isotropicsample_conditions_2
3D TROSY-HNCOsample_2isotropicsample_conditions_2
2D 1H-13C HSQCsample_3isotropicsample_conditions_3
3D 13C-edited NOESY-HSQCsample_3isotropicsample_conditions_3
2D 1H-15N TROSY-HSQCsample_4isotropicsample_conditions_4
3D 15N-edited NOESY-TROSY-HSQCsample_4isotropicsample_conditions_4
2D 1H-15N TROSY-HSQCsample_5isotropicsample_conditions_5
2D 1H-15N TROSY-HSQCsample_6isotropicsample_conditions_6
2D 1H-15N TROSY-HSQCsample_7isotropicsample_conditions_7
2D 1H-15N TROSY-HSQCsample_8isotropicsample_conditions_8
2D 1H-15N TROSY-HSQCsample_9isotropicsample_conditions_9
2D 1H-15N TROSY-HSQCsample_10isotropicsample_conditions_10
2D 1H-15N TROSY-HSQCsample_11isotropicsample_conditions_11
2D 1H-15N TROSY-HSQCsample_12isotropicsample_conditions_12
2D 1H-15N TROSY-HSQCsample_13isotropicsample_conditions_13
2D 1H-15N TROSY-HSQCsample_14isotropicsample_conditions_14
2D 1H-15N TROSY-HSQCsample_15isotropicsample_conditions_15
2D 1H-15N TROSY-HSQCsample_16isotropicsample_conditions_16
2D 1H-15N TROSY-HSQCsample_17isotropicsample_conditions_17
2D 1H-15N TROSY-HSQCsample_18isotropicsample_conditions_18
2D 1H-15N TROSY-HSQCsample_19isotropicsample_conditions_19
2D 1H-15N TROSY-HSQCsample_20isotropicsample_conditions_20
2D 1H-15N IPAPsample_21isotropicsample_conditions_21
2D 1H-15N TROSY-HSQCsample_22isotropicsample_conditions_22
2D 1H-15N IPAPsample_23isotropicsample_conditions_23
2D 1H-15N TROSY-HSQCsample_24isotropicsample_conditions_24
2D 1H-15N IPAPsample_25isotropicsample_conditions_25
2D 1H-15N TROSY-HSQCsample_26isotropicsample_conditions_26
3D TROSY-HNCAsample_26isotropicsample_conditions_26
3D TROSY-HN(CO)CAsample_26isotropicsample_conditions_26
2D 1H-15N TROSY-HSQCsample_16isotropicsample_conditions_27
2D 1H-15N TROSY-HSQCsample_18isotropicsample_conditions_28
2D 1H-15N TROSY-HSQCsample_17isotropicsample_conditions_29
2D 1H-15N TROSY-HSQCsample_19isotropicsample_conditions_30
2D 1H-15N TROSY-HSQCsample_1isotropicsample_conditions_30
3D BEST-HNCAsample_1isotropicsample_conditions_30
3D BEST-HN(CO)CAsample_1isotropicsample_conditions_30
3D TROSY-CBCACONHsample_1isotropicsample_conditions_30
3D BEST-HNCOsample_1isotropicsample_conditions_30

Software:

TopSpin v2.1 and 3.1, Bruker Biospin - collection

NMRPipe v10.9, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

Sparky v3.190, Goddard - data analysis

NMRFAM-SPARKY v1.470, Lee, Tonelli and Markley - data analysis

CS-ROSETTA v3.17, Shen, Vernon, Baker and Bax - structure calculation

Rosetta v3.7, Leaver-Fay, Tyka, Lewis, etc. - refinement, structure calculation

PHENIX v1.19, Liebschner, Afonine, Baker, etc. - refinement

MolProbity, Richardson - data analysis

NMR spectrometers:

  • Bruker AVANCE II 900 MHz
  • Bruker AVANCE II 800 MHz
  • Bruker AVANCE 700 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks