BMRB: 5097

1H Chemical Shift Assignments for Bucandin

Authors

Torres, A.M., Kini, R.M., Selvanayagam, N., Kuchel, P.W.

Assembly

bucandin

Entity

1. bucandin (polymer, Thiol state: all disulfide bound), 63 monomers, 7285.343 Da Detail

MECYRCGVSG CHLKITCSAE ETFCYKWLNK ISNERWLGCA KTCTEIDTWN VYNKCCTTNL CNT

Formula weight

7285.343 Da

Entity Connection

disulfide 5 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS24:SG
2	disulfide	sing	1:CYS6:SG	1:CYS11:SG
3	disulfide	sing	1:CYS17:SG	1:CYS39:SG
4	disulfide	sing	1:CYS43:SG	1:CYS55:SG
5	disulfide	sing	1:CYS56:SG	1:CYS61:SG

Source organism

Bungarus candidus

Exptl. method

NMR

Refine. method

distance geometry, simulated annealing, molecular dynamics, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 93.5 %, Completeness (bb): 97.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	93.5 % (348 of 372)	93.5 % (348 of 372)
Backbone	97.7 % (126 of 129)	97.7 % (126 of 129)
Sidechain	91.4 % (222 of 243)	91.4 % (222 of 243)
Aromatic	73.0 % (27 of 37)	73.0 % (27 of 37)
Methyl	100.0 % (28 of 28)	100.0 % (28 of 28)

1. bucandin

MECYRCGVSG CHLKITCSAE ETFCYKWLNK ISNERWLGCA KTCTEIDTWN VYNKCCTTNL CNT

Show sample condition

Sample

Pressure 1 atm, Temperature 298 (±1) K, pH 3.0 (±.2)

#	Name	Isotope labeling	Type	Concentration
1	bucandin			1.7 mM

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Protein Blocks Logo

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

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Release date

2001-08-02

Citation

NMR structure of bucandin, a neurotoxin from the venom of the Malayan krait (Bungarus candidus)
Torres, A.M., Kini, R.M., Selvanayagam, N., Kuchel, P.W.
Biochem. J. (2001), 360, 539-548, PubMed 11736642 , DOI: , Abstract

Related entities 1. bucandin, : 1 : 2 : 52 entities Detail

Experiments performed 4 experiments Detail