BMRBj - BMREntryMaster

Found 1 Document (0.336 seconds)

BMRB: 30745

6WPB

NMR Structure of HSP1-NH2 antimicrobial peptide in presence of DPC-d38 micelles

Authors

Verly, R.M., Gomes, I.P.

Assembly

HSP1-NH2

Entity

1. HSP1-NH2 (polymer, Thiol state: not present), 15 monomers, 1309.577 Da Detail

GILDAIKAIA KAAGX

Formula weight

1309.577 Da

Source organism

Boana punctata

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 93.3 %, Completeness: 73.1 %, Completeness (bb): 78.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	73.1 % (106 of 145)	71.2 % (52 of 73)	70.7 % (41 of 58)	92.9 % (13 of 14)
Backbone	78.6 % (66 of 84)	86.7 % (26 of 30)	67.5 % (27 of 40)	92.9 % (13 of 14)
Sidechain	71.2 % (52 of 73)	60.5 % (26 of 43)	86.7 % (26 of 30)
Methyl	88.5 % (23 of 26)	92.3 % (12 of 13)	84.6 % (11 of 13)

1. entity 1

GILDAIKAIA KAAGX

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.0 mM HSP1-NH2, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	HSP1-NH2	natural abundance		1.0 mM

Release date

2020-05-31

Citation

Membrane interactions of the anuran antimicrobial peptide HSP1-NH₂: Different aspects of the association to anionic and zwitterionic biomimetic systems
Gomes, I.P., Santos, T.L., Souza, A.N., Nunes, L.O., Cardoso, G.A., Matos, C.O., Costa, L.M.F., Liao, L.M., Resende, J.M., Verly, R.M.
Biochim. Biophys. Acta. Biomembr. (2020), 1863, 183449-183449, PubMed 32828849 , DOI 10.1016/j.bbamem.2020.183449 , Abstract

Related entities 1. HSP1-NH2, : 1 : 2 entities Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30745_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	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
1	15	NH2	AMINO GROUP	Assigned chemical shifts

Content subtype: bmr30745_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	132		100.0 (chain: 1, length: 15)
1	Chemical shift references	chem_shift_reference_1	OK	2		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 15, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 80
  - ¹³C chemical shifts: 39
  - ¹⁵N chemical shifts: 13
- Completeness of assignments
  - Entity_assemble_ID: 1
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
7	LYS	HZ1	7.57125
7	LYS	HZ2	7.57125
7	LYS	HZ3	7.57125

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	75	53	70.7
¹³C chemical shifts	58	39	67.2
¹⁵N chemical shifts	15	13	86.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	30	26	86.7
¹³C chemical shifts	28	14	50.0
¹⁵N chemical shifts	15	13	86.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	45	27	60.0
¹³C chemical shifts	30	25	83.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	13	12	92.3
¹³C chemical shifts	13	10	76.9

Keywords ANTIMICROBIAL PROTEIN, antimicrobial peptide

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Found 1 Document (0.336 seconds)

BMRB: 30745

Sample

Related entities 1. HSP1-NH2, : 1 : 2 entities Detail

Experiments performed 3 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail