BMRB: 34357

Structure investigations of Protegrin-4 by High resolution NMR spectroscopy

Authors

Usachev, K.S., Kolosova, O.A., Klochkova, E.A., Klochkov, V.V.

Assembly

Protegrin-4

Entity

1. Protegrin-4 (polymer, Thiol state: all disulfide bound), 18 monomers, 2105.539 Da Detail

RGGRLCYCRG WICFCVGR

Formula weight

2105.539 Da

Entity Connection

disulfide 2 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS6:SG	1:CYS15:SG
2	disulfide	sing	1:CYS8:SG	1:CYS13:SG

Source organism

Sus scrofa

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.4 %, Completeness: 67.3 %, Completeness (bb): 87.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	67.3 % (74 of 110)	67.3 % (74 of 110)
Backbone	87.5 % (35 of 40)	87.5 % (35 of 40)
Sidechain	55.7 % (39 of 70)	55.7 % (39 of 70)
Aromatic	93.3 % (14 of 15)	93.3 % (14 of 15)
Methyl	50.0 % (3 of 6)	50.0 % (3 of 6)

1. entity 1

RGGRLCYCRG WICFCVGR

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 5.1 mM Protegrin 4, 20 mM CHAPS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Protegrin 4	natural abundance		5.1 mM
2	CHAPS	natural abundance		20 mM

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Protein Blocks Logo

Calculated from 10 models in PDB: 6QKF, Strand ID: A Detail

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Release date

2019-09-24

Citation

Structure investigations of Protegrin-4 by High resolution NMR spectroscopy
Usachev, K.S., Kolosova, O.A., Klochkova, E.A., Klochkov, V.V.
Mol. Biol. Cell (2018), 29, 561, PubMed , DOI:

Related entities 1. Protegrin-4, : 1 : 1 : 9 entities Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail