BMRB Entry 30939

Name: Structures of the Intracellular Domain and Transmembrane Domain of the Human alpha7 Nicotinic Acetylcholine Receptors
Published: 2022-01-14

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PDB ID: 7rpm
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30939
MolProbity Validation Chart

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Structures of the Intracellular Domain and Transmembrane Domain of the Human alpha7 Nicotinic Acetylcholine Receptors PubMed: 35145092

Deposition date: 2021-08-03 Original release date: 2022-01-14

Authors: Bondarenko, V.; Chen, Q.; Tang, P.

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).

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

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

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

Entity Sequences (FASTA):
entity_1: SNAEEELYYGLNLLIPCVLI SALALLVFLLPADSGEKISL GITVLLSLTVFMLLVAEIMP STSDSSPSIAQYFASTMIIV GLSVVVTVIVLQYHHHDPDG GKMPKWTRVILLNWCAWFLR MKRPGEDKVRPACQHKQRRC SLASVEMSAVAPPPASNGNL LYIGFRGLDGVHCVPTPDSG VVCGRMACSPTHDEHLLHGG QPPEGDPDLAKILEEVRYIA NRFRCQDESEAVCSEWKFAA CVVDRLCLMAFSVFTIICTI GILMSAPNFVEE

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	764
15N chemical shifts	239
1H chemical shifts	1110

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1
2	unit_2	1
3	unit_3	1
4	unit_4	1
5	unit_5	1

Entities:

Entity 1, unit_1 272 residues - 29831.779 Da.

1

SER

ASN

ALA

GLU

LEU

TYR

GLY

2

LEU

ASN

LEU

ILE

PRO

CYS

VAL

LEU

ILE

3

SER

ALA

LEU

ALA

LEU

VAL

PHE

LEU

4

PRO

ALA

ASP

SER

GLY

GLU

LYS

ILE

SER

LEU

5

GLY

ILE

THR

VAL

LEU

SER

LEU

THR

VAL

6

PHE

MET

LEU

VAL

ALA

GLU

ILE

MET

PRO

7

SER

THR

SER

ASP

SER

PRO

SER

ILE

ALA

8

GLN

TYR

PHE

ALA

SER

THR

MET

ILE

VAL

9

GLY

LEU

SER

VAL

THR

VAL

ILE

VAL

10

LEU

GLN

TYR

HIS

ASP

PRO

ASP

GLY

11

GLY

LYS

MET

PRO

LYS

TRP

THR

ARG

VAL

ILE

12

LEU

ASN

TRP

CYS

ALA

TRP

PHE

LEU

ARG

13

MET

LYS

ARG

PRO

GLY

GLU

ASP

LYS

VAL

ARG

14

PRO

ALA

CYS

GLN

HIS

LYS

GLN

ARG

CYS

15

SER

LEU

ALA

SER

VAL

GLU

MET

SER

ALA

VAL

16

ALA

PRO

ALA

SER

ASN

GLY

ASN

LEU

17

LEU

TYR

ILE

GLY

PHE

ARG

GLY

LEU

ASP

GLY

18

VAL

HIS

CYS

VAL

PRO

THR

PRO

ASP

SER

GLY

19

VAL

CYS

GLY

ARG

MET

ALA

CYS

SER

PRO

20

THR

HIS

ASP

GLU

HIS

LEU

HIS

GLY

21

GLN

PRO

GLU

GLY

ASP

PRO

ASP

LEU

ALA

22

LYS

ILE

LEU

GLU

VAL

ARG

TYR

ILE

ALA

23

ASN

ARG

PHE

ARG

CYS

GLN

ASP

GLU

SER

GLU

24

ALA

VAL

CYS

SER

GLU

TRP

LYS

PHE

ALA

25

CYS

VAL

ASP

ARG

LEU

CYS

LEU

MET

ALA

26

PHE

SER

VAL

PHE

THR

ILE

CYS

THR

ILE

27

GLY

ILE

LEU

MET

SER

ALA

PRO

ASN

PHE

VAL

28

GLU

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:

Name	Sample	Sample state	Sample conditions
2D 1H-15N TROSY-HSQC	sample_1	isotropic	sample_conditions_1
3D BEST-HNCA	sample_1	isotropic	sample_conditions_1
3D BEST-HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D TROSY-CBCACONH	sample_1	isotropic	sample_conditions_1
3D BEST-HNCO	sample_1	isotropic	sample_conditions_1
2D 1H-15N TROSY-HSQC	sample_2	isotropic	sample_conditions_2
3D TROSY-HNCA	sample_2	isotropic	sample_conditions_2
3D TROSY-HN(CO)CA	sample_2	isotropic	sample_conditions_2
3D TROSY-HNCACB	sample_2	isotropic	sample_conditions_2
3D TROSY-CBCACONH	sample_2	isotropic	sample_conditions_2
3D TROSY-HNCO	sample_2	isotropic	sample_conditions_2
2D 1H-13C HSQC	sample_3	isotropic	sample_conditions_3
3D 13C-edited NOESY-HSQC	sample_3	isotropic	sample_conditions_3
2D 1H-15N TROSY-HSQC	sample_4	isotropic	sample_conditions_4
3D 15N-edited NOESY-TROSY-HSQC	sample_4	isotropic	sample_conditions_4
2D 1H-15N TROSY-HSQC	sample_5	isotropic	sample_conditions_5
2D 1H-15N TROSY-HSQC	sample_6	isotropic	sample_conditions_6
2D 1H-15N TROSY-HSQC	sample_7	isotropic	sample_conditions_7
2D 1H-15N TROSY-HSQC	sample_8	isotropic	sample_conditions_8
2D 1H-15N TROSY-HSQC	sample_9	isotropic	sample_conditions_9
2D 1H-15N TROSY-HSQC	sample_10	isotropic	sample_conditions_10
2D 1H-15N TROSY-HSQC	sample_11	isotropic	sample_conditions_11
2D 1H-15N TROSY-HSQC	sample_12	isotropic	sample_conditions_12
2D 1H-15N TROSY-HSQC	sample_13	isotropic	sample_conditions_13
2D 1H-15N TROSY-HSQC	sample_14	isotropic	sample_conditions_14
2D 1H-15N TROSY-HSQC	sample_15	isotropic	sample_conditions_15
2D 1H-15N TROSY-HSQC	sample_16	isotropic	sample_conditions_16
2D 1H-15N TROSY-HSQC	sample_17	isotropic	sample_conditions_17
2D 1H-15N TROSY-HSQC	sample_18	isotropic	sample_conditions_18
2D 1H-15N TROSY-HSQC	sample_19	isotropic	sample_conditions_19
2D 1H-15N TROSY-HSQC	sample_20	isotropic	sample_conditions_20
2D 1H-15N IPAP	sample_21	isotropic	sample_conditions_21
2D 1H-15N TROSY-HSQC	sample_22	isotropic	sample_conditions_22
2D 1H-15N IPAP	sample_23	isotropic	sample_conditions_23
2D 1H-15N TROSY-HSQC	sample_24	isotropic	sample_conditions_24
2D 1H-15N IPAP	sample_25	isotropic	sample_conditions_25
2D 1H-15N TROSY-HSQC	sample_26	isotropic	sample_conditions_26
3D TROSY-HNCA	sample_26	isotropic	sample_conditions_26
3D TROSY-HN(CO)CA	sample_26	isotropic	sample_conditions_26
2D 1H-15N TROSY-HSQC	sample_16	isotropic	sample_conditions_27
2D 1H-15N TROSY-HSQC	sample_18	isotropic	sample_conditions_28
2D 1H-15N TROSY-HSQC	sample_17	isotropic	sample_conditions_29
2D 1H-15N TROSY-HSQC	sample_19	isotropic	sample_conditions_30
2D 1H-15N TROSY-HSQC	sample_1	isotropic	sample_conditions_30
3D BEST-HNCA	sample_1	isotropic	sample_conditions_30
3D BEST-HN(CO)CA	sample_1	isotropic	sample_conditions_30
3D TROSY-CBCACONH	sample_1	isotropic	sample_conditions_30
3D BEST-HNCO	sample_1	isotropic	sample_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 shifts
SPARKY: Backbone or all simulated shifts