BMRB: 6388

NMR structure of the synthetic penaeidin 4

Authors

Cuthbertson, B., Yang, Y., Bullesbach, E., Bachere, E., Gross, P., Aumelas, A.

Assembly

Penaeidin-4d

Entity

1. Penaeidin-4d (polymer, Thiol state: all disulfide bound), 47 monomers, 5303.184 Da Detail

HSSGYTRPLR KPSRPIFIRP IGCDVCYGIP SSTARLCCFR YGDCCHX

Formula weight

5303.184 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS23:SG	1:CYS37:SG
2	disulfide	sing	1:CYS26:SG	1:CYS44:SG
3	disulfide	sing	1:CYS38:SG	1:CYS45:SG

Source organism

Penaeus setiferus

Exptl. method

NMR

Refine. method

Distance geometry, Simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.9 %, Completeness: 98.9 %, Completeness (bb): 98.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	98.9 % (272 of 275)	98.9 % (272 of 275)
Backbone	98.9 % (90 of 91)	98.9 % (90 of 91)
Sidechain	98.9 % (182 of 184)	98.9 % (182 of 184)
Aromatic	92.3 % (24 of 26)	92.3 % (24 of 26)
Methyl	100.0 % (17 of 17)	100.0 % (17 of 17)

1. penaeidin-4

HSSGYTRPLR KPSRPIFIRP IGCDVCYGIP SSTARLCCFR YGDCCHX

Show sample condition

Sample

Pressure 1 atm, Temperature 298 (±0.1) K, pH 3.6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	penaeidin-4			1 mM
2	H2O			95 %
3	D2O			5 %

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Protein Blocks Logo

Calculated from 20 models in PDB: 1XV3, Strand ID: A Detail

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Release date

2004-11-14

Citation

Solution structure of synthetic penaeidin-4 with structural and functional comparisons with penaeidin-3
Cuthbertson, B.J., Yang, Y., Bachere, E., Bullesbach, E.E., Gross, P.S., Aumelas, A.
J. Biol. Chem. (2005), 280, 16009-16018, PubMed 15699044 , DOI 10.1074/jbc.M412420200 , Abstract

Related entities 1. Penaeidin-4d, : 1 : 2 : 18 entities Detail

Experiments performed 3 experiments Detail