BMRB: 34125

Cytotoxin-1 in DPC-micelle

Authors

Dubovskii, P.V., Dubinnyi, M.A., Volynsky, P.E., Pustovalova, Y.E., Konshina, A.G., Utkin, Y.N., Efremov, R.G., Arseniev, A.S.

Assembly

Cytotoxin 1

Entity

1. Cytotoxin 1, entity 1 (polymer, Thiol state: all disulfide bound), 60 monomers, 6821.255 Da Detail

LKCNKLVPIA YKTCPEGKNL CYKMFMMSDL TIPVKRGCID VCPKNSLLVK YVCCNTDRCN

2. Cytotoxin 1, entity HOH (water), 18.015 Da

Formula weight

6821.255 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:CYS21:SG
2	disulfide	sing	1:CYS14:SG	1:CYS38:SG
3	disulfide	sing	1:CYS42:SG	1:CYS53:SG
4	disulfide	sing	1:CYS54:SG	1:CYS59:SG

Source organism

Naja oxiana

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 92.0 %, Completeness (bb): 97.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	92.0 % (347 of 377)	92.0 % (347 of 377)
Backbone	97.5 % (115 of 118)	97.5 % (115 of 118)
Sidechain	89.6 % (232 of 259)	89.6 % (232 of 259)
Aromatic	100.0 % (17 of 17)	100.0 % (17 of 17)
Methyl	100.0 % (32 of 32)	100.0 % (32 of 32)

1. entity 1

LKCNKLVPIA YKTCPEGKNL CYKMFMMSDL TIPVKRGCID VCPKNSLLVK YVCCNTDRCN

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.01) bar, Temperature 323 (±0.1) K, pH 6.0 (±0.1), Details 3.0 mM no cytotoxin-1, 180.0 mM fully deuterated dodecylphosphocholine, 50 mM no potassium chloride, 50 M no H2O, 5.5 M 99.9%-deuterated D2O, 0.01 uM no HCl, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	D2O	99.9%-deuterated		5.5 M
2	H2O	no		50 M
3	HCl	no		0.01 uM
4	cytotoxin-1	no		3.0 mM
5	dodecylphosphocholine	fully deuterated		180.0 mM
6	potassium chloride	no		50 mM

Sample #2

Solvent system 100% D2O, Pressure 1 (±0.01) bar, Temperature 323 (±0.1) K, pH 6.0 (±0.1), Details 3.0 mM no cytotoxin-1, 180.0 mM fully deuterated dodecylphosphocholine, 50 mM no potassium chloride, 55 M 100%-deuterated D2O, 0.01 uM no HCl, 100% D2O

#	Name	Isotope labeling	Type	Concentration
7	D2O	100%-deuterated		55 M
8	HCl	no		0.01 uM
9	cytotoxin-1	no		3.0 mM
10	dodecylphosphocholine	fully deuterated		180.0 mM
11	potassium chloride	no		50 mM

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Protein Blocks Logo

Calculated from 20 models in PDB: 5NQ4, Strand ID: A Detail

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Release date

2017-11-28

Citation 1

Interaction of three-finger toxins with phospholipid membranes: comparison of S- and P-type cytotoxins
Dubovskii, P.V., Lesovoy, D.M., Dubinnyi, M.A., Konshina, A.G., Utkin, Y.N., Efremov, R.G., Arseniev, A.S.
Biochem. J. (2005), 387, 807-815, PubMed 15584897 , DOI 10.1042/BJ20041814 , Abstract

Show more 1 citaion

Citation 2

Impact of membrane partitioning on the spatial structure of an S-type cobra cytotoxin
Dubovskii, P.V., Dubinnyi, M.A., Volynsky, P.E., Pustovalova, Y.E., Konshina, A.G., Utkin, Y.N., Arseniev, A.S., Efremov, R.G., Dubovskii, P.V., Lesovoy, D.M., Dubinnyi, M.A., Konshina, A.G., Utkin, Y.N., Efremov, R.G., Arseniev, A.S.
J. Biomol. Struct. Dyn. (2017), 6, 1-16, PubMed 28990854 , DOI 10.1080/07391102.2017.1389662 , Abstract

Hide non-primary 1 citaion

Related entities 1. Cytotoxin 1, entity 1, : 1 : 6 : 1 : 194 entities Detail

Experiments performed 7 experiments Detail