BMRB: 5264

Solution Structure of Human beta-Defensin 3

Authors

Schibli, D.J., Hunter, H.N., Aseyev, V., Starner, T.D., Wiencek, J.M., McCray, P.M., Tack, B.F., Vogel, H.J.

Assembly

Human Beta-defensin 3

Entity

1. Human Beta-defensin 3 (polymer, Thiol state: all disulfide bound), 45 monomers, 5161.159 Da Detail

GIINTLQKYY CRVRGGRCAV LSCLPKEEQI GKCSTRGRKC CRRKK

Formula weight

5161.159 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS11:SG	1:CYS40:SG
2	disulfide	sing	1:CYS18:SG	1:CYS33:SG
3	disulfide	sing	1:CYS23:SG	1:CYS41:SG

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

Distance geometry,

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 83.4 %, Completeness (bb): 97.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	83.4 % (242 of 290)	83.4 % (242 of 290)
Backbone	97.9 % (92 of 94)	97.9 % (92 of 94)
Sidechain	76.5 % (150 of 196)	76.5 % (150 of 196)
Aromatic	50.0 % (4 of 8)	50.0 % (4 of 8)
Methyl	100.0 % (19 of 19)	100.0 % (19 of 19)

1. Human beta-defensin 3

GIINTLQKYY CRVRGGRCAV LSCLPKEEQI GKCSTRGRKC CRRKK

Show sample condition

Sample

Pressure 1 atm, Temperature 298 (±0.1) K, pH 4.00 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Human beta-defensin 3			0.36 mM
2	D2O			10 %
3	H2O			90 %

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Protein Blocks Logo

Calculated from 20 models in PDB: 1KJ6, Strand ID: A Detail

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Release date

2002-01-23

Citation

The solution structures of the human beta-defensins lead to a better understanding of the potent bactericidal activity of HBD3 against Staphylococcus aureus
Schibli, D.J., Hunter, H.N., Aseyev, V., Starner, T.D., Wiencek, J.M., McCray, P.M., Tack, B.F., Vogel, H.J.
J. Biol. Chem. (2002), 277, 8279-8289, PubMed 11741980 , DOI 10.1074/jbc.M108830200 , Abstract

Related entities 1. Human Beta-defensin 3, : 1 : 3 : 1 : 16 entities Detail

Experiments performed 3 experiments Detail