BMRB: 34767

NMR Structure of Big-defensin 5 from oyster Crassostrea gigas

Authors

Loth, K., Asokan, A.

Assembly

Cg-BigDef5

Entity

1. Cg-BigDef5 (polymer, Thiol state: all disulfide bound), 86 monomers, 9965.317 Da Detail

WAQALLPIWT YTQXTVSAPL FAALVAAYGI YAVTRYGIKK ARTRNDSHQC ANNRGWCRKS CFGHEYIDWY YTDVCGSFYC CRPRNX

Formula weight

9965.317 Da

Entity Connection

disulfide 3 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS50:SG	1:CYS80:SG
2	disulfide	sing	1:CYS57:SG	1:CYS75:SG
3	disulfide	sing	1:CYS61:SG	1:CYS81:SG

Source organism

Crassostrea gigas

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.7 %, Completeness: 83.5 %, Completeness (bb): 76.5 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	83.5 % (832 of 996)	95.5 % (485 of 508)	70.2 % (273 of 389)	74.7 % (74 of 99)
Backbone	76.5 % (381 of 498)	96.5 % (164 of 170)	59.9 % (148 of 247)	85.2 % (69 of 81)
Sidechain	91.3 % (527 of 577)	95.0 % (321 of 338)	91.0 % (201 of 221)	27.8 % (5 of 18)
Aromatic	94.7 % (142 of 150)	98.7 % (74 of 75)	95.8 % (68 of 71)	0.0 % (0 of 4)
Methyl	95.0 % (76 of 80)	97.5 % (39 of 40)	92.5 % (37 of 40)

1. entity 1

WAQALLPIWT YTQXTVSAPL FAALVAAYGI YAVTRYGIKK ARTRNDSHQC ANNRGWCRKS CFGHEYIDWY YTDVCGSFYC CRPRNX

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.7, Details 1 mM Cg-BigDef5, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Cg-BigDef5	natural abundance		1 mM

Hide sample codition

Release date

2022-11-30

Citation

Total synthesis and 3D structure determination of a highly hydrophobic antimicrobial Crassostrea gigas big defensin, enduring challenges rescue by a solubilizing tag
Asokan, A., Delmas, A.F., Aucagne, V., Loth, K., Meudal, H.

Related entities 1. Cg-BigDef5, : 1 : 4 entities Detail

Experiments performed 4 experiments Detail