BMRB: 4615

Solution Structure of PAFP-S: A new Knottin-type Antifungal Peptide from the seeds of Phytolacca americana

Authors

Gao, G.H., Liu, W., Dai, J.X., Wang, J.F., Hu, Z., Zhang, Y., Wang, D.C.

Assembly

antifungal peptide

Entity

1. antifungal peptide (polymer, Thiol state: all disulfide bound), 38 monomers, 3935.455 Da Detail

AGCIKNGGRC NASAGPPYCC SSYCFQIAGQ SYGVCKNR

Formula weight

3935.455 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:CYS20:SG
2	disulfide	sing	1:CYS10:SG	1:CYS24:SG
3	disulfide	sing	1:CYS19:SG	1:CYS35:SG

Source organism

Phytolacca americana

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING MOLECULAR DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 86.1 %, Completeness (bb): 97.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	86.1 % (179 of 208)	86.1 % (179 of 208)
Backbone	97.5 % (78 of 80)	97.5 % (78 of 80)
Sidechain	78.9 % (101 of 128)	78.9 % (101 of 128)
Aromatic	52.9 % (9 of 17)	52.9 % (9 of 17)
Methyl	90.0 % (9 of 10)	90.0 % (9 of 10)

1. antifungal peptide

AGCIKNGGRC NASAGPPYCC SSYCFQIAGQ SYGVCKNR

Show sample condition

Sample

Temperature 300 (±1) K, pH 3.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	antifungal peptide			4 mM
2	DSS			0.2 mM

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Protein Blocks Logo

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

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Release date

2000-09-06

Citation

Solution structure of PAFP-S: a new knottin-type antifungal peptide from the seeds of Phytolacca americana
Gao, G.H., Liu, W., Dai, J.X., Wang, J.F., Hu, Z., Zhang, Y., Wang, D.C.
Biochemistry (2001), 40, 10973-10978, PubMed 11551192 , DOI: , Abstract

Related entities 1. antifungal peptide, : 1 : 1 : 12 entities Detail

Experiments performed 5 experiments Detail