BMRB: 4391

Isolation, purification, 1H NMR assignments and secondary structure characterization of a neurotoxin from Bungarus candidus

Authors

Venkitakrishnan, R.PARVATHY., Chary, K.V.R.

Assembly

candoxin

Entity

1. candoxin (polymer, Thiol state: all disulfide bound), 66 monomers, 7344.459 Da Detail

MKCKICNFDT CRAGELKVCA SGEKYCFKES WREARGTRIE RGCAATCPKG SVYGLYVLCC TTDDCN

Formula weight

7344.459 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:CYS26:SG
2	disulfide	sing	0:CYS6:SG	1:CYS11:SG
3	disulfide	sing	0:CYS19:SG	1:CYS43:SG
4	disulfide	sing	0:CYS47:SG	1:CYS59:SG
5	disulfide	sing	0:CYS60:SG	1:CYS65:SG

Source organism

Bungarus candidus

Exptl. method

NMR

Refine. method

distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 80.5 %, Completeness (bb): 82.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	80.5 % (588 of 730)	89.2 % (339 of 380)	66.3 % (187 of 282)	91.2 % (62 of 68)
Backbone	82.5 % (325 of 394)	99.3 % (136 of 137)	67.7 % (130 of 192)	90.8 % (59 of 65)
Sidechain	81.3 % (322 of 396)	83.5 % (203 of 243)	77.3 % (116 of 150)	100.0 % (3 of 3)
Aromatic	33.9 % (19 of 56)	64.3 % (18 of 28)	0.0 % (0 of 27)	100.0 % (1 of 1)
Methyl	98.1 % (51 of 52)	96.2 % (25 of 26)	100.0 % (26 of 26)

1. long neurotoxin

MKCKICNFDT CRAGELKVCA SGEKYCFKES WREARGTRIE RGCAATCPKG SVYGLYVLCC TTDDCN

Show sample condition

Sample

Temperature 298 (±0.1) K, pH 3 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	long neurotoxin			4 mM

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LACS Plot; CA

Referencing offset: 0.18 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	glucose	na	0.0 ppm	null	null	0.0
1H	DSS	methyl protons	0.0 ppm	internal	direct	0.0
15N	ammonium chloride	nitrogen	0.0 ppm	null	null	0.0

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LACS Plot; CB

Referencing offset: 0.18 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	glucose	na	0.0 ppm	null	null	0.0
1H	DSS	methyl protons	0.0 ppm	internal	direct	0.0
15N	ammonium chloride	nitrogen	0.0 ppm	null	null	0.0

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LACS Plot; HA

Referencing offset: -0.13 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	glucose	na	0.0 ppm	null	null	0.0
1H	DSS	methyl protons	0.0 ppm	internal	direct	0.0
15N	ammonium chloride	nitrogen	0.0 ppm	null	null	0.0

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Protein Blocks Logo

Calculated from 19 models in PDB: 1JGK, Strand ID: A Detail

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Release date

2000-08-06

Citation

Isolation, purification, 1H NMR assignments and secondary structure characterization of a neurotoxin from Bungarus candidus
Venkitakrishnan, R.PARVATHY., Chary, K.V.R.

Related entities 1. candoxin, : 1 : 1 : 1 : 108 entities Detail