BMRB: 25751

Disulphide linked homodimer of designed antimicrobial peptide VG16KRKP

Authors

Datta, A., Bhunia, A.

Assembly

VG16KRKP DIMER

Entity

1. VG16KRKP DIMER (polymer, Thiol state: all disulfide bound), 16 monomers, 1760.116 × 2 Da Detail

VARGWKRKCP LFGKGG

Total weight

3520.232 Da

Max. entity weight

1760.116 Da

Entity Connection

disulfide 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS9:SG	1:CYS9:SG

Exptl. method

solution NMR

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 81.9 %, Completeness (bb): 85.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	81.9 % (86 of 105)	81.9 % (86 of 105)
Backbone	85.7 % (30 of 35)	85.7 % (30 of 35)
Sidechain	80.0 % (56 of 70)	80.0 % (56 of 70)
Aromatic	100.0 % (11 of 11)	100.0 % (11 of 11)
Methyl	100.0 % (5 of 5)	100.0 % (5 of 5)

1. entity

VARGWKRKCP LFGKGG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	VG16KRKP DIMER	natural abundance	protein	1 mM
2	D2O	[U-2H]	solvent	10 %
3	H2O	natural abundance	solvent	90 %
4	DSS	natural abundance		1 mM

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Calculated from 20 models in PDB: 2N65, Strand ID: A, B Detail

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Release date

2016-03-20

Citation

Designing potent antimicrobial peptides by disulphide linked dimerization and N-terminal lipidation to increase antimicrobial activity and membrane perturbation: Structural insights into lipopolysaccharide binding
Datta, A., Kundu, P., Bhunia, A.
J. Colloid Interface Sci. (2016), 461, 335-345, PubMed 26407061 , DOI 10.1016/j.jcis.2015.09.036 , Abstract

Related entities 1. VG16KRKP DIMER, : 1 : 9 : 3 : 106 entities Detail

Experiments performed 2 experiments Detail