BMRB: 4587

NMR STRUCTURAL DETERMINATION OF VISCOTOXIN A3 FROM VISCUM ALBUM L.

Authors

Ugolini, R., Fogolari, F., Schaller, G., Urech, K., Giannattasio, M., Ragona, L., Molinari, H.

Assembly

Viscotoxin A3 from Viscum album L.

Entity

1. Viscotoxin A3 from Viscum album L. (polymer, Thiol state: all disulfide bound), 46 monomers, 4835.569 Da Detail

KSCCPNTTGR NIYNACRLTG APRPTCAKLS GCKIISGSTC PSDYPK

Formula weight

4835.569 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS40:SG
2	disulfide	sing	1:CYS4:SG	1:CYS32:SG
3	disulfide	sing	1:CYS16:SG	1:CYS26:SG

Source organism

Viscum album

Exptl. method

NMR

Refine. method

RESTRAINED SIMULATED ANNEALING IN TORSION ANGLE SPACE, ITERATIVE RESTRAINTS REFINEMENT, RESTRAINED MOLECULAR DYNAMICS IN CARTESIAN COORDINATE SPACE MINIMIZATION

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 94.6 %, Completeness (bb): 95.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	94.6 % (246 of 260)	94.6 % (246 of 260)
Backbone	95.6 % (87 of 91)	95.6 % (87 of 91)
Sidechain	94.1 % (159 of 169)	94.1 % (159 of 169)
Aromatic	50.0 % (4 of 8)	50.0 % (4 of 8)
Methyl	100.0 % (18 of 18)	100.0 % (18 of 18)

1. Viscotoxin A3

KSCCPNTTGR NIYNACRLTG APRPTCAKLS GCKIISGSTC PSDYPK

Show sample condition

Sample

Pressure 1 atm, Temperature 285 (±0.1) K, pH 3.6

#	Name	Isotope labeling	Type	Concentration
1	Viscotoxin A3			1.0 ~ 2.0 mM
2	H3PO4/NaOH aqueous buffer			50 mM
3	H2O			90 %
4	D2O			10 %

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Calculated from 10 models in PDB: 1ED0, Strand ID: A Detail

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Release date

2000-09-06

Citation

NMR structural determination of viscotoxin A3 from Viscum album L
Romagnoli, S., Ugolini, R., Fogolari, F., Schaller, G., Urech, K., Giannattasio, M., Ragona, L., Molinari, H.
Biochem. J. (2000), 350 Pt 2, 569-577, PubMed 10947973 , DOI 10.2210/pdb1ed0/pdb , Abstract

Related entities 1. Viscotoxin A3 from Viscum album L., : 1 : 3 : 5 : 66 entities Detail

Experiments performed 3 experiments Detail