BMRB: 4948

1H Chemical Shift Assignments of a-bungarotoxin/ nicotinic acetilcholine receptor mimotope complex

Authors

Scarselli, M., Spiga, O., Ciutti, A., Bernini, A., Bracci, L., Lelli, B., Lozzi, L., Calamandrei, D., Di Maro, D., Klein, S., Niccolai, N.

Assembly

A-BUNGAROTOXIN/ NICOTINIC ACETILCHOLINE RECEPTOR MIMOTOPE COMPLEX

Entity

1. A-BUNGAROTOXIN (polymer, Thiol state: all disulfide bound), 74 monomers, 7994.189 Da Detail

IVCHTTATSP ISAVTCPPGE NLCYRKMWCD AFCSSRGKVV ELGCAATCPS KKPYEEVTCC STDKCNPHPK QRPG

2. MIMOTOPE OF THE NICOTINIC ACETILCHOLINE RECEPTOR (polymer, Thiol state: not present), 14 monomers, 1841.928 Da Detail

HRYYESSLEP WYPD

Total weight

9836.117 Da

Max. entity weight

7994.189 Da

Entity Connection

disulfide 5 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	0:CYS3:SG	1:CYS23:SG
2	disulfide	sing	0:CYS16:SG	1:CYS44:SG
3	disulfide	sing	0:CYS29:SG	1:CYS33:SG
4	disulfide	sing	0:CYS48:SG	1:CYS59:SG
5	disulfide	sing	0:CYS60:SG	1:CYS65:SG

Source organism

Bungarus multicinctus

Exptl. method

NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 84.1 %, Completeness: 74.0 %, Completeness (bb): 84.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	74.0 % (381 of 515)	74.0 % (381 of 515)
Backbone	84.1 % (143 of 170)	84.1 % (143 of 170)
Sidechain	69.0 % (238 of 345)	69.0 % (238 of 345)
Aromatic	20.9 % (9 of 43)	20.9 % (9 of 43)
Methyl	78.1 % (25 of 32)	78.1 % (25 of 32)

1. A-BUNGAROTOXIN

IVCHTTATSP ISAVTCPPGE NLCYRKMWCD AFCSSRGKVV ELGCAATCPS KKPYEEVTCC STDKCNPHPK QRPG

2. MIMOTOPE OF THE NICOTINIC ACETILCHOLINE RECEPTOR

HRYYESSLEP WYPD

Show sample condition

Sample

Pressure 1 atm, Temperature 303 (±0.5) K, pH 5.67 (±0.02)

#	Name	Isotope labeling	Type	Concentration
1	A-BUNGAROTOXIN			0.5 mM
2	MIMOTOPE OF THE NICOTINIC ACETILCHOLINE RECEPTOR			0.5 mM
3	H2O			90 %
4	D2O			10 %

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Chem. Shift Complete2

Sequence coverage: 25.0 %, Completeness: 48.3 %, Completeness (bb): 53.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	48.3 % (498 of 1030)	48.3 % (498 of 1030)
Backbone	53.8 % (183 of 340)	53.8 % (183 of 340)
Sidechain	45.7 % (315 of 690)	45.7 % (315 of 690)
Aromatic	17.4 % (15 of 86)	17.4 % (15 of 86)
Methyl	51.6 % (33 of 64)	51.6 % (33 of 64)

1. A-BUNGAROTOXIN

IVCHTTATSP ISAVTCPPGE NLCYRKMWCD AFCSSRGKVV ELGCAATCPS KKPYEEVTCC STDKCNPHPK QRPG

2. MIMOTOPE OF THE NICOTINIC ACETILCHOLINE RECEPTOR

HRYYESSLEP WYPD

Show sample condition

Sample

Pressure 1 atm, Temperature 303 (±0.5) K, pH 5.67 (±0.02)

#	Name	Isotope labeling	Type	Concentration
1	A-BUNGAROTOXIN			0.5 mM
2	MIMOTOPE OF THE NICOTINIC ACETILCHOLINE RECEPTOR			0.5 mM
3	H2O			90 %
4	D2O			10 %

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Protein Blocks Logo

Calculated from 20 models in PDB: 1HOY, Strand ID: A, B Detail

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Release date

2001-12-31

Citation

NMR structure of alpha-bungarotoxin free and bound to a mimotope of the nicotinic acetylcholine receptor
Scarselli, M., Spiga, O., Ciutti, A., Bernini, A., Bracci, L., Lelli, B., Lozzi, L., Calamandrei, D., Di Maro, D., Klein, S., Niccolai, N.
Biochemistry (2002), 41, 1457-1463, PubMed 11814338 , DOI: , Abstract

Related entities 1. A-BUNGAROTOXIN, : 1 : 21 : 8 : 44 entities Detail

Related entities 2. MIMOTOPE OF THE NICOTINIC ACETILCHOLINE RECEPTOR, : 1 : 1 entities Detail

Experiments performed 1 experiments Detail