BMRB: 4642

SOLUTION STRUCTURE OF HUMAN BETA-DEFENSIN-2

Authors

Sawai, M.V., Jia, H.P., Liu, L., Aseyev, V., Wiencek, J.M., McCray, P.B., Ganz, T., Kearney, W.R., Tack, B.F.

Assembly

HUMAN BETA-DEFENSIN-2

Entity

1. HUMAN BETA-DEFENSIN-2 (polymer, Thiol state: all disulfide bound), 41 monomers, 4334.205 Da Detail

GIGDPVTCLK SGAICHPVFC PRRYKQIGTC GLPGTKCCKK P

Formula weight

4334.205 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS8:SG	1:CYS37:SG
2	disulfide	sing	1:CYS15:SG	1:CYS30:SG
3	disulfide	sing	1:CYS20:SG	1:CYS38:SG

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

Simulated annealing, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 99.6 %, Completeness (bb): 98.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	99.6 % (243 of 244)	99.6 % (243 of 244)
Backbone	98.8 % (82 of 83)	98.8 % (82 of 83)
Sidechain	100.0 % (161 of 161)	100.0 % (161 of 161)
Aromatic	100.0 % (11 of 11)	100.0 % (11 of 11)
Methyl	100.0 % (18 of 18)	100.0 % (18 of 18)

1. HUMAN BETA-DEFENSIN-2

GIGDPVTCLK SGAICHPVFC PRRYKQIGTC GLPGTKCCKK P

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Sample

Pressure 1.013 atm, Temperature 298 K, pH 3.74

#	Name	Isotope labeling	Type	Concentration
1	HUMAN BETA-DEFENSIN-2			0.87 mM
2	sodium phosphate buffer			45 mM
3	H2O			90 %
4	D2O			10 %

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

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Release date

2001-03-15

Citation

The NMR structure of human beta-defensin-2 reveals a novel alpha-helical segment
Sawai, M.V., Jia, H.P., Liu, L., Aseyev, V., Wiencek, J.M., McCray, P.B., Ganz, T., Kearney, W.R., Tack, B.F.
Biochemistry (2001), 40, 3810-3816, PubMed 11300761 , DOI: , Abstract

Related entities 1. HUMAN BETA-DEFENSIN-2, : 1 : 5 : 1 : 2 : 78 entities Detail

Experiments performed 3 experiments Detail