BMRBj - BMREntryMaster

Found 1 Document (0.512 seconds)

BMRB: 34350

6QEU

Gga-AvBD11 (Avian beta-defensin 11 from Gallus gallus)

Authors

Meudal, H., Loth, K., Delmas, A.F., Landon, C.

Assembly

Gallinacin-11

Entity

1. Gallinacin-11 (polymer, Thiol state: all disulfide bound), 82 monomers, 9288.766 Da Detail

LPRDTSRCVG YHGYCIRSKV CPKPFAAFGT CSWRQKTCCV DTTSDFHTCQ DKGGHCVSPK IRCLEEQLGL CPLKRWTCCK EI

Formula weight

9288.766 Da

Entity Connection

disulfide 6 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS8:SG	1:CYS38:SG
2	disulfide	sing	1:CYS15:SG	1:CYS31:SG
3	disulfide	sing	1:CYS21:SG	1:CYS39:SG
4	disulfide	sing	1:CYS49:SG	1:CYS78:SG
5	disulfide	sing	1:CYS56:SG	1:CYS71:SG
6	disulfide	sing	1:CYS63:SG	1:CYS79:SG

Source organism

Gallus gallus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 96.2 %, Completeness (bb): 95.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	96.2 % (554 of 576)	97.2 % (480 of 494)	90.2 % (74 of 82)
Backbone	95.5 % (231 of 242)	97.0 % (160 of 165)	92.2 % (71 of 77)
Sidechain	96.7 % (323 of 334)	97.3 % (320 of 329)	60.0 % (3 of 5)
Aromatic	86.0 % (37 of 43)	85.4 % (35 of 41)	100.0 % (2 of 2)
Methyl	100.0 % (33 of 33)	100.0 % (33 of 33)

1. entity 1

LPRDTSRCVG YHGYCIRSKV CPKPFAAFGT CSWRQKTCCV DTTSDFHTCQ DKGGHCVSPK IRCLEEQLGL CPLKRWTCCK EI

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details 1.08 mM [1-82]Gga-AvBD11, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	[1-82]Gga-AvBD11	natural abundance		1.08 mM

Protein Blocks Logo

Calculated from 10 models in PDB: 6QEU, Strand ID: A Detail

Release date

2019-12-10

Citation

Structure, function, and evolution of Gga-AvBD11, the archetype of the structural avian-double-β-defensin family
Guyot, N., Meudal, H., Trapp, S., Iochmann, S., Silvestre, A., Jousset, G., Labas, V., Reverdiau, P., Loth, K., Herve, V., Aucagne, V., Delmas, A.F., Rehault-Godbert, S., Landon, C.
Proc. Natl. Acad. Sci. U. S. A. (2020), 117, 337-345, PubMed 31871151 , DOI 10.1073/pnas.1912941117 , Abstract

Related entities 1. Gallinacin-11, : 1 : 1 : 2 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34350_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)
1:8:CYS:SG	1:38:CYS:SG	unknown	unknown	n/a
1:15:CYS:SG	1:31:CYS:SG	unknown	unknown	n/a
1:21:CYS:SG	1:39:CYS:SG	unknown	unknown	n/a
1:49:CYS:SG	1:78:CYS:SG	unknown	unknown	n/a
1:56:CYS:SG	1:71:CYS:SG	unknown	unknown	n/a
1:63:CYS:SG	1:79:CYS:SG	unknown	unknown	n/a

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

None

Non-standard residues

None

Content subtype: bmr34350_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	630		100.0 (chain: 1, length: 82)
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: 82, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 556
  - ¹⁵N chemical shifts: 74
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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	494	490	99.2
¹⁵N chemical shifts	88	74	84.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	165	162	98.2
¹⁵N chemical shifts	77	72	93.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	329	328	99.7
¹⁵N chemical shifts	11	2	18.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	33	33	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	41	41	100.0
¹⁵N chemical shifts	2	2	100.0

Keywords ANTIMICROBIAL PROTEIN, avian egg, defensin, double beta-defensin, new fold

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Found 1 Document (0.512 seconds)

BMRB: 34350

Sample

Related entities 1. Gallinacin-11, : 1 : 1 : 2 entities Detail

Experiments performed 4 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail