BMRB Entry 34468

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR34468
MolProbity Validation Chart

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Title:
Solution structure of the antifungal protein PAFC
Deposition date:
2019-12-19
Original release date:
2020-10-23
Authors:
Czajlik, A.; Holzknecht, J.; Marx, F.; Batta, G.
Citation:

Citation: Czajlik, Andras; Holzknecht, Jeanett; Galgoczy, Laszlo; Toth, Liliana; Poor, Peter; Ordog, Attila; Varadi, Gyorgyi; Kuhbacher, Alexander; Borics, Attila; Toth, Gabor; Marx, Florentine; Batta, Gyula. "Solution Structure, Dynamics, and New Antifungal Aspects of the Cysteine-Rich Miniprotein PAFC"  Int. J. Mol. Sci. 22, 1183-1183 (2021).
PubMed: 33504082

Assembly members:

Assembly members:
entity_1, polymer, 64 residues, 6639.278 Da.

Natural source:

Natural source:   Common Name: Penicillium rubens Wisconsin 54-1255   Taxonomy ID: 500485   Superkingdom: Eukaryota   Kingdom: Fungi   Genus/species: Penicillium rubens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Penicillium rubens Wisconsin 54-1255   Vector: pSK275pafC

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DTCGGGYGVDQRRTNSPCQA SNGDRHFCGCDRTGIVECKG GKWTEIQDCGGASCRGVSQG GARC

Data sets:
Data typeCount
13C chemical shifts220
15N chemical shifts68
1H chemical shifts346

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 64 residues - 6639.278 Da.

1   ASPTHRCYSGLYGLYGLYTYRGLYVALASP
2   GLNARGARGTHRASNSERPROCYSGLNALA
3   SERASNGLYASPARGHISPHECYSGLYCYS
4   ASPARGTHRGLYILEVALGLUCYSLYSGLY
5   GLYLYSTRPTHRGLUILEGLNASPCYSGLY
6   GLYALASERCYSARGGLYVALSERGLNGLY
7   GLYALAARGCYS

Samples:

sample_1: acetic acid, [U-100% 2H], 20 mM; PAFC 1.5 mM; H2O 95%; D2O, [U-2H], 5%

sample_2: acetic acid, [U-100% 2H], 20 mM; PAFC, [U-100% 13C; U-100% 15N], 650 uM; H2O 95%; D2O, [U-2H], 5%

sample_conditions_1: ionic strength: 0.007 M; pH: 4.5; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 0.007 M; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_2isotropicsample_conditions_2
2D 1H-13C HSQCsample_2isotropicsample_conditions_2
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_2
3D HN(COCA)CBsample_2isotropicsample_conditions_2
3D HNCACBsample_2isotropicsample_conditions_2
3D HN(CO)CAsample_2isotropicsample_conditions_2
3D HNCAsample_2isotropicsample_conditions_2
3D HNHAsample_2isotropicsample_conditions_2
3D 1H-15N TOCSYsample_2isotropicsample_conditions_2
3D HN(CA)COsample_2isotropicsample_conditions_2
3D HNCOsample_2isotropicsample_conditions_2
3D HCCH-TOCSYsample_2isotropicsample_conditions_2
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_2

Software:

TALOS vN, Cornilescu, Delaglio and Bax - refinement

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation

CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment, peak picking

TopSpin v3.1, Bruker Biospin - processing

NMR spectrometers:

  • Bruker AVANCE III 700.13 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks