BMRBj - BMREntryMaster

Found 1 Document (0.434 seconds)

BMRB: 15827

2K98

Solution structure of antimicrobial peptide MSI-594, derived from Magainin-2 and Malittin, in the presence of LPS.

Authors

Bhunia, A., Bhattacharjya, S.

Assembly

MSI-594

Entity

1. MSI-594 (polymer, Thiol state: not present), 24 monomers, 2441.049 Da Detail

GIGKFLKKAK KGIGAVLKVL TTGL

Formula weight

2441.049 Da

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 74.7 %, Completeness (bb): 98.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	74.7 % (112 of 150)	74.7 % (112 of 150)
Backbone	98.1 % (52 of 53)	98.1 % (52 of 53)
Sidechain	61.9 % (60 of 97)	61.9 % (60 of 97)
Aromatic	60.0 % (3 of 5)	60.0 % (3 of 5)
Methyl	100.0 % (20 of 20)	100.0 % (20 of 20)

1. MSI-594

GIGKFLKKAK KGIGAVLKVL TTGL

Show sample condition

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	MSI-594	natural abundance		0.5 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 2K98, Strand ID: A Detail

Release date

2009-06-14

Citation

Helical hairpin structure of a potent antimicrobial peptide MSI-594 in lipopolysaccharide micelles by NMR spectroscopy
Bhunia, A., Ramamoorthy, A., Bhattacharjya, S.
Chemistry (2009), 15, 2036-2040, PubMed 19180607 , DOI 10.1002/chem.200802635 , Abstract

Related entities 1. MSI-594, : 1 entities Detail

Experiments performed 2 experiments Detail

Chemical shift validation 3 contents Detail

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	OK	150		100.0 (chain: 1, length: 24)
1	Chemical shift references	chemical_shift_reference_1	OK	1		No information

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	150	110	73.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	53	52	98.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	97	58	59.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	20	20	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	5	3	60.0

Keywords antimicrobial peptide, LPS, MSI-594, NMR, trNOE

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15827_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	OK

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Found 1 Document (0.434 seconds)

BMRB: 15827

Sample

Related entities 1. MSI-594, : 1 entities Detail

Experiments performed 2 experiments Detail

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail