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Solution structure of antifungal protein NFAP
Authors
Hajdu, D., Czajlik, A., Marx, F., Galgoczy, L., Batta, G.
Assembly
NFAP
Entity
1. NFAP (polymer, Thiol state: all disulfide bound), 57 monomers, 6625.459 Da Detail

LEYKGECFTK DNTCKYKIDG KTYLAKCPSA ANTKCEKDGN KCTYDSYNRK VKCDFRH


Formula weight
6625.459 Da
Entity Connection
disulfide 6 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS7:SG1:CYS35:SG
2disulfidesing1:CYS14:SG1:CYS42:SG
3disulfidesing1:CYS14:SG1:CYS27:SG
4disulfidesing1:CYS14:SG1:CYS53:SG
5disulfidesing1:CYS27:SG1:CYS53:SG
6disulfidesing1:CYS42:SG1:CYS53:SG

Source organism
Aspergillus fischeri NRRL 181
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 98.2 %, Completeness: 87.9 %, Completeness (bb): 97.4 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All87.9 % (593 of 675)88.5 % (316 of 357)84.5 % (218 of 258)98.3 % (59 of 60)
Backbone97.4 % (331 of 340)96.6 % (112 of 116)97.6 % (164 of 168)98.2 % (55 of 56)
Sidechain81.0 % (315 of 389)84.6 % (204 of 241)74.3 % (107 of 144)100.0 % (4 of 4)
Aromatic39.1 % (25 of 64)78.1 % (25 of 32) 0.0 % (0 of 32)
Methyl78.1 % (25 of 32)75.0 % (12 of 16)81.3 % (13 of 16)

1. entity 1

LEYKGECFTK DNTCKYKIDG KTYLAKCPSA ANTKCEKDGN KCTYDSYNRK VKCDFRH

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 (±0.01) atm, Temperature 298 (±1) K, pH 4.5 (±0.05), Details 20 mM [U-100% 2H] acetic acid, 1.1 mM [U-100% 15N] NFAP, 95 % H2O, 5 % [U-2H] D2O, 95% H2O/5% D2O


#NameIsotope labelingTypeConcentration
1acetic acid[U-100% 2H]20 mM
2NFAP[U-100% 15N]1.1 mM
3H2Onatural abundance95 %
4D2O[U-2H]5 %
Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 (±0.01) atm, Temperature 298 (±1) K, pH 4.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N] NFAP, 20 mM [U-100% 2H] acetic acid, 95 % H2O, 5 % [U-2H] D2O, 95% H2O/5% D2O


#NameIsotope labelingTypeConcentration
5acetic acid[U-100% 2H]20 mM
6NFAP[U-100% 13C; U-100% 15N]1 mM
7H2Onatural abundance95 %
8D2O[U-2H]5 %

LACS Plot; CA
Referencing offset: -0.1 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: -0.1 ppm, Outliers: 1 Detail
LACS Plot; HA
Referencing offset: 0.04 ppm, Outliers: 3 Detail
LACS Plot; CO
Referencing offset: 0.66 ppm, Outliers: 1 Detail
Release date
2018-07-17
Citation
Solution structure and novel insights into phylogeny and mode of action of the Neosartorya (Aspergillus) fischeri antifungal protein (NFAP)
Hajdu, D., Huber, A., Czajlik, A., Toth, L., Kele, Z., Kocsube, S., Fizil, A., Marx, F., Galgoczy, L., Batta, G.
Int. J. Biol. Macromol. (2019), 129, 511-522, PubMed 30738898 , DOI 10.1016/j.ijbiomac.2019.02.016 ,
Related entities 1. NFAP, : 1 : 24 entities Detail
Experiments performed 14 experiments Detail
NMR combined restraints 4 contents Detail
Keywords Antifungal protein, NFAP, STRUCTURE FROM CYANA 2.1, Solution structure