BMRB: 4640

Solution structure and activity of the four disulfide bond Mediterranean mussel defensin MGD-1

Authors

Yang, Y.S., Mitta, G., Chavanieu, A., Calas, B., Sanchez, J.F., Roch, P., Aumelas, A.

Assembly

DEFENSIN MGD-1

Entity

1. DEFENSIN MGD-1 (polymer, Thiol state: all disulfide bound), 40 monomers, 4406.061 Da Detail

GFGCPNNYQC HRHCKSIPGR CGGYCGGWHR LRCTCYRCGX

Formula weight

4406.061 Da

Entity Connection

disulfide 4 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS4:SG	1:CYS25:SG
2	disulfide	sing	1:CYS10:SG	1:CYS33:SG
3	disulfide	sing	1:CYS14:SG	1:CYS35:SG
4	disulfide	sing	1:CYS21:SG	1:CYS38:SG

Source organism

Mytilus galloprovincialis

Exptl. method

NMR

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.5 %, Completeness: 98.2 %, Completeness (bb): 97.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	98.2 % (224 of 228)	98.2 % (224 of 228)
Backbone	97.6 % (82 of 84)	97.6 % (82 of 84)
Sidechain	98.6 % (142 of 144)	98.6 % (142 of 144)
Aromatic	96.6 % (28 of 29)	96.6 % (28 of 29)
Methyl	100.0 % (5 of 5)	100.0 % (5 of 5)

1. DEFENSIN MGD-1

GFGCPNNYQC HRHCKSIPGR CGGYCGGWHR LRCTCYRCGX

Show sample condition

Sample

Pressure 1 atm, Temperature 285 K, pH 3.3

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

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

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Release date

2001-03-15

Citation

Solution structure and activity of the synthetic four-disulfide bond Mediterranean mussel defensin (MGD-1)
Yang, Y.S., Mitta, G., Chavanieu, A., Calas, B., Sanchez, J.F., Roch, P., Aumelas, A.
Biochemistry (2000), 39, 14436-14447, PubMed 11087396 , DOI: , Abstract

Related entities 1. DEFENSIN MGD-1, : 1 : 1 : 27 entities Detail

Experiments performed 3 experiments Detail