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NMR Mapping and Secondary Structure Determination of the Major Acetylcholine Receptor alpha-Subunit Determinant Interacting with alpha-Bungarotoxin
Authors
Samson, A.O.S., Chill, J.H., Rodriguez, E., Scherf, T., Anglister, J.
Assembly
bungarotoxin/Acetylcholine receptor peptide
Entity
1. alpha-bungarotoxin (polymer, Thiol state: free and disulfide bound), 74 monomers, 7994.189 Da Detail

IVCHTTATSP ISAVTCPPGE NLCYRKMWCD AFCSSRGKVV ELGCAATCPS KKPYEEVTCC STDKCNPHPK RQPG


2. acetylcholine receptor peptide (polymer, Thiol state: all disulfide bound), 25 monomers, 3134.406 Da Detail

EERGWKHWVY YTCCPDTPYL DITEE


Total weight
11128.595 Da
Max. entity weight
7994.189 Da
Entity Connection
disulfide 5 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS3:SG1:CYS23:SG
2disulfidesing1:CYS29:SG1:CYS33:SG
3disulfidesing1:CYS48:SG1:CYS59:SG
4disulfidesing1:CYS60:SG1:CYS65:SG
5disulfidesing2:CYS13:SG2:CYS14:SG

Source organism
Bungarus multicinctus , Tetronarce californica
Exptl. method
NMR
Refine. method
distance geometry
Data set
assigned_chemical_shifts, coupling_constants
Chem. Shift Complete1
Sequence coverage: 71.7 %, Completeness: 53.3 %, Completeness (bb): 72.3 % Detail

Polymer type: polypeptide(L)

Total1H
All53.3 % (308 of 578)53.3 % (308 of 578)
Backbone72.3 % (136 of 188)72.3 % (136 of 188)
Sidechain44.1 % (172 of 390)44.1 % (172 of 390)
Aromatic 0.0 % (0 of 49) 0.0 % (0 of 49)
Methyl69.2 % (27 of 39)69.2 % (27 of 39)

1. alpha-bungarotoxin

IVCHTTATSP ISAVTCPPGE NLCYRKMWCD AFCSSRGKVV ELGCAATCPS KKPYEEVTCC STDKCNPHPK RQPG

2. acetylcholine receptor peptide

EERGWKHWVY YTCCPDTPYL DITEE

Sample

Temperature 310 (±0) K, pH 4 (±0.2)


#NameIsotope labelingTypeConcentration
1alpha-bungarotoxin2 mM
2acetylcholine receptor peptide2 mM

Chem. Shift Complete2
Sequence coverage: 26.3 %, Completeness: 36.5 %, Completeness (bb): 48.9 % Detail

Polymer type: polypeptide(L)

Total1H
All36.5 % (422 of 1156)36.5 % (422 of 1156)
Backbone48.9 % (184 of 376)48.9 % (184 of 376)
Sidechain30.5 % (238 of 780)30.5 % (238 of 780)
Aromatic 0.0 % (0 of 98) 0.0 % (0 of 98)
Methyl47.4 % (37 of 78)47.4 % (37 of 78)

1. alpha-bungarotoxin

IVCHTTATSP ISAVTCPPGE NLCYRKMWCD AFCSSRGKVV ELGCAATCPS KKPYEEVTCC STDKCNPHPK RQPG

2. acetylcholine receptor peptide

EERGWKHWVY YTCCPDTPYL DITEE

Sample

Temperature 310 (±0) K, pH 4 (±0.2)


#NameIsotope labelingTypeConcentration
1alpha-bungarotoxin2 mM
2acetylcholine receptor peptide2 mM

Protein Blocks Logo
Calculated from 1 models in PDB: 1L4W, Strand ID: A, B Detail


Coupling constant
79 J values in 2 lists
Temperature 310 (±0) K, pH 4 (±0.2) Detail
Release date
2000-09-24
Citation
NMR mapping and secondary structure determination of the major acetylcholine receptor alpha-subunit determinant interacting with alpha-bungarotoxin
Samson, A.O.S., Chill, J.H., Rodriguez, E., Scherf, T., Anglister, J.
Biochemistry (2001), 40, 5464-5473, PubMed 11331011 , DOI 10.1021/bi0022689 ,
Related entities 2. acetylcholine receptor peptide, : 1 : 1 : 11 : 17 entities Detail
Interaction partners 2. acetylcholine receptor peptide, : 1 interactors Detail
Experiments performed 3 experiments Detail