BMRB: 5006

1H Chemical Shift Assignments for alpha-Bungarotoxin

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

alpha-bungarotoxin

Entity

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

IVCHTTATSP ISAVTCPPGE NLCYRKMWCD AFCSSRGKVV ELGCAATCPS KKPYEEVTCC STDKCNPHPK QRPG

Formula weight

7994.189 Da

Entity Connection

disulfide 4 Detail

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

Source organism

Bungarus multicinctus

Exptl. method

NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 91.4 %, Completeness (bb): 95.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	91.4 % (385 of 421)	91.4 % (385 of 421)
Backbone	95.1 % (137 of 144)	95.1 % (137 of 144)
Sidechain	89.5 % (248 of 277)	89.5 % (248 of 277)
Aromatic	52.2 % (12 of 23)	52.2 % (12 of 23)
Methyl	96.7 % (29 of 30)	96.7 % (29 of 30)

1. alpha-bungarotoxin

IVCHTTATSP ISAVTCPPGE NLCYRKMWCD AFCSSRGKVV ELGCAATCPS KKPYEEVTCC STDKCNPHPK QRPG

Show sample condition

Sample

Temperature 303 (±1) K, pH 5.67 (±0.01)

#	Name	Isotope labeling	Type	Concentration
1	alpha-bungarotoxin			0.5 mM

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Protein Blocks Logo

Calculated from 1 models in PDB: 1JBD, Strand ID: A Detail

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Release date

2001-05-02

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. alpha-bungarotoxin, : 1 : 22 : 9 : 124 entities Detail

Interaction partners 1. alpha-bungarotoxin, : 5 interactors Detail

Experiments performed 2 experiments Detail