BMRBj - BMREntryMaster

Found 1 Document (0.435 seconds)

BMRB: 30784

7JNN

NMR Solution Structure of plant defensin SlD26

Authors

Harvey, P.J., Craik, D.J.

Assembly

SlD26 plant defensin

Entity

1. SlD26 plant defensin (polymer, Thiol state: all disulfide bound), 46 monomers, 5430.129 Da Detail

AKHCGKHSKS WNGKCFHKKC NHWCMEKEDA KYGSCSHGDC YCYYHC

Formula weight

5430.129 Da

Entity Connection

disulfide 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS4:SG	1:CYS46:SG
2	disulfide	sing	1:CYS15:SG	1:CYS35:SG
3	disulfide	sing	1:CYS20:SG	1:CYS40:SG
4	disulfide	sing	1:CYS24:SG	1:CYS42:SG

Source organism

Solanum lycopersicum

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 73.9 %, Completeness (bb): 76.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	73.9 % (397 of 537)	92.6 % (261 of 282)	46.8 % (96 of 205)	80.0 % (40 of 50)
Backbone	76.1 % (210 of 276)	96.9 % (93 of 96)	59.0 % (79 of 134)	82.6 % (38 of 46)
Sidechain	74.3 % (225 of 303)	90.3 % (168 of 186)	48.7 % (55 of 113)	50.0 % (2 of 4)
Aromatic	40.0 % (36 of 90)	80.0 % (36 of 45)	0.0 % (0 of 43)	0.0 % (0 of 2)
Methyl	100.0 % (4 of 4)	100.0 % (2 of 2)	100.0 % (2 of 2)

1. entity 1

AKHCGKHSKS WNGKCFHKKC NHWCMEKEDA KYGSCSHGDC YCYYHC

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.0, Details 1.0 mg/mL peptide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	peptide	natural abundance		1.0 mg/mL

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 4.0, Details 1.0 mg/mL peptide, 100% D2O

#	Name	Isotope labeling	Type	Concentration
2	peptide	natural abundance		1.0 mg/mL

Release date

2020-08-31

Citation

Histidine-Rich Defensins from the Solanaceae and Brasicaceae Are Antifungal and Metal Binding Proteins
Bleackley, M.R., Vasa, S., Harvey, P.J., Shafee, T.M.A., Kerenga, B.K., Soares da Costa, T.P., Craik, D.J., Lowe, R.G.T., Anderson, M.A.
J. Fungi (Basel). (2020), 6, 145-145, PubMed 32847065 , DOI 10.3390/jof6030145 , Abstract

Related entities 1. SlD26 plant defensin, : 1 : 55 entities Detail

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30784_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:4:CYS:SG	1:46:CYS:SG	oxidized, CA 58.609, CB 40.545 ppm	oxidized, CA 56.794, CB 43.137 ppm	n/a
1:15:CYS:SG	1:35:CYS:SG	oxidized, CA 56.83, CB 39.252 ppm	oxidized, CA 53.67, CB 40.878 ppm	n/a
1:20:CYS:SG	1:40:CYS:SG	unknown	unknown, CA 54.802 ppm	n/a
1:24:CYS:SG	1:42:CYS:SG	oxidized, CB 35.538 ppm	oxidized, CA 50.631, CB 37.12 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr30784_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	397		100.0 (chain: 1, length: 46)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 46, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 265
  - ¹³C chemical shifts: 93
  - ¹⁵N chemical shifts: 39
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	282	261	92.6
¹³C chemical shifts	205	93	45.4
¹⁵N chemical shifts	50	39	78.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	96	93	96.9
¹³C chemical shifts	92	38	41.3
¹⁵N chemical shifts	46	37	80.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	186	168	90.3
¹³C chemical shifts	113	55	48.7
¹⁵N chemical shifts	4	2	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	3	2	66.7
¹³C chemical shifts	3	2	66.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	45	36	80.0
¹³C chemical shifts	43	0	0.0
¹⁵N chemical shifts	2	0	0.0

Keywords ANTIFUNGAL PROTEIN, plant defensin

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Found 1 Document (0.435 seconds)

BMRB: 30784

Sample #1

Sample #2

Related entities 1. SlD26 plant defensin, : 1 : 55 entities Detail

Experiments performed 5 experiments Detail

Instrument

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Instrument

Sample

Instrument

Sample

Instrument

Sample

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Sample

Chemical shift validation 3 contents Detail