BMRBj - BMREntryMaster

Found 1 Document (0.465 seconds)

BMRB: 30783

7JN6

NMR Solution Structure of plant defensin AtD90

Authors

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

Assembly

Defensin-like protein 204

Entity

1. Defensin-like protein 204 (polymer, Thiol state: all disulfide bound), 52 monomers, 6046.726 Da Detail

AHCDHFLGEA PVYPCKEKAC KSVCKEHYHH ACKGECEYHG REVHCHCYGD YH

Formula weight

6046.726 Da

Entity Connection

disulfide 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS32:SG
2	disulfide	sing	1:CYS15:SG	1:CYS36:SG
3	disulfide	sing	1:CYS20:SG	1:CYS45:SG
4	disulfide	sing	1:CYS24:SG	1:CYS47:SG

Source organism

Arabidopsis thaliana

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 76.2 %, Completeness (bb): 76.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	76.2 % (445 of 584)	94.4 % (285 of 302)	52.4 % (121 of 231)	76.5 % (39 of 51)
Backbone	76.3 % (235 of 308)	97.2 % (103 of 106)	61.2 % (93 of 152)	78.0 % (39 of 50)
Sidechain	78.4 % (254 of 324)	92.9 % (182 of 196)	56.7 % (72 of 127)	0.0 % (0 of 1)
Aromatic	44.2 % (38 of 86)	88.4 % (38 of 43)	0.0 % (0 of 43)
Methyl	91.7 % (22 of 24)	83.3 % (10 of 12)	100.0 % (12 of 12)

1. entity 1

AHCDHFLGEA PVYPCKEKAC KSVCKEHYHH ACKGECEYHG REVHCHCYGD YH

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

2020-08-18

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

Entries sharing articles BMRB: 1 entries Detail

BMRB: 30784 released on 2020-08-31
Title NMR Solution Structure of plant defensin SlD26

Related entities 1. Defensin-like protein 204, : 1 : 2 : 13 entities Detail

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30783_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)
1:3:CYS:SG	1:32:CYS:SG	oxidized, CA 56.588, CB 41.994 ppm	oxidized, CA 54.22, CB 42.926 ppm	n/a
1:15:CYS:SG	1:36:CYS:SG	oxidized, CA 61.211, CB 41.827 ppm	oxidized, CB 40.264 ppm	n/a
1:20:CYS:SG	1:45:CYS:SG	unknown	oxidized, CB 36.511 ppm	n/a
1:24:CYS:SG	1:47:CYS:SG	oxidized, CA 59.592, CB 35.698 ppm	oxidized, CA 51.945, CB 37.418 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr30783_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	470		100.0 (chain: 1, length: 52)
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: 52, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 316
  - ¹³C chemical shifts: 115
  - ¹⁵N chemical shifts: 39
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	302	292	96.7
¹³C chemical shifts	231	115	49.8
¹⁵N chemical shifts	51	39	76.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	106	105	99.1
¹³C chemical shifts	104	43	41.3
¹⁵N chemical shifts	50	39	78.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	196	187	95.4
¹³C chemical shifts	127	72	56.7
¹⁵N chemical shifts	1	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	12	12	100.0
¹³C chemical shifts	12	12	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	43	38	88.4
¹³C chemical shifts	43	0	0.0

Keywords ANTIFUNGAL PROTEIN, plant defensin

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Found 1 Document (0.465 seconds)

BMRB: 30783

Sample #1

Sample #2

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. Defensin-like protein 204, : 1 : 2 : 13 entities Detail

Experiments performed 5 experiments Detail

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Chemical shift validation 3 contents Detail