BMRB: 34558

Capra hircus Cathelicidin-1 (dodecylphosphocholine)

Authors

Myshkin, M.Y., Mironov, P., Shenkarev, Z.O.

Assembly

Capra hircus Cathelicidin-1 (dodecylphosphocholine)

Entity

1. Capra hircus Cathelicidin-1 (dodecylphosphocholine) (polymer, Thiol state: all disulfide bound), 12 monomers, 1505.895 × 4 Da Detail

RICQFVLIRV CR

Total weight

6023.58 Da

Max. entity weight

1505.895 Da

Entity Connection

disulfide 4 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS11:SG
2	disulfide	sing	1:CYS11:SG	1:CYS3:SG
3	disulfide	sing	1:CYS3:SG	1:CYS11:SG
4	disulfide	sing	1:CYS11:SG	1:CYS3:SG

Source organism

Capra hircus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 90.9 %, Completeness (bb): 94.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	90.9 % (90 of 99)	90.4 % (75 of 83)	93.8 % (15 of 16)
Backbone	94.4 % (34 of 36)	95.8 % (23 of 24)	91.7 % (11 of 12)
Sidechain	88.9 % (56 of 63)	88.1 % (52 of 59)	100.0 % (4 of 4)
Aromatic	40.0 % (2 of 5)	40.0 % (2 of 5)
Methyl	100.0 % (10 of 10)	100.0 % (10 of 10)

1. entity 1

RICQFVLIRV CR

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 4.0, Details 0.96 mM 15 Capra hircus Cathelicidin-1, 1.6 % [U-99% 2H] DPC, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Capra hircus Cathelicidin-1	[U-15N]		0.96 mM
2	DPC	[U-99% 2H]		1.6 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 4.0, Details 0.336 mM Capra hircus Cathelicidin-1 (dodecylphosphocholine), 1.6 % [U-99% 2H] DPC, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
3	DPC	[U-99% 2H]		1.6 %
4	Capra hircus Cathelicidin-1 (dodecylphosphocholine)	natural abundance		0.336 mM

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Release date

2020-10-04

Citation

Dodecapeptide Cathelicidins of Cetartiodactyla: Structure, Mechanism of Antimicrobial Action, and Synergistic Interaction With Other Cathelicidins
Bolosov, I.A., Panteleev, P.V., Sychev, S.V., Sukhanov, S.V., Mironov, P.A., Myshkin, M.Y., Shenkarev, Z.O., Ovchinnikova, T.V.
Front. Microbiol. (2021), 12, 725526-725526, PubMed 34484167 , DOI 10.3389/fmicb.2021.725526 , Abstract

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail