BMRB Entry 27733

Title:
15N, 13C and 1H backbone resonance assignments of the FKBP12 protein from Aspergillus fumigatus bound to FK506
Deposition date:
2018-12-20
Original release date:
2019-03-08
Authors:
Gobeil, Sophie; Bobay, Benjamin; Spicer, Leonard; Venters, Ronald
Citation:

Citation: Gobeil, Sophie; Bobay, Benjamin; Spicer, Leonard; Venters, Ronald. "15N, 13C and 1H resonance assignments of FKBP12 proteins from the pathogenic fungi Mucor circinelloides and Aspergillus fumigatus"  Biomol. NMR Assignments 13, 207-212 (2019).
PubMed: 30707421

Assembly members:

Assembly members:
FKBP12, polymer, 112 residues, 12000 Da.
entity_FK5, non-polymer, 804.018 Da.

Natural source:

Natural source:   Common Name: Aspergillus fumigatus   Taxonomy ID: 746128   Superkingdom: Eukaryota   Kingdom: Fungi   Genus/species: Aspergillus fumigatus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-15b

Data sets:
Data typeCount
13C chemical shifts316
15N chemical shifts103
1H chemical shifts215

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1FKBP121
2Tacrolimus2

Entities:

Entity 1, FKBP12 112 residues - 12000 Da.

1   METGLYVALTHRLYSGLULEULYSSERPRO
2   GLYASNGLYVALASPPHEPROLYSLYSGLY
3   ASPPHEVALTHRILEHISTYRTHRGLYARG
4   LEUTHRASPGLYSERLYSPHEASPSERSER
5   VALASPARGASNGLUPROPHEGLNTHRGLN
6   ILEGLYTHRGLYARGVALILELYSGLYTRP
7   ASPGLUGLYVALPROGLNMETSERLEUGLY
8   GLULYSALAVALLEUTHRILETHRPROASP
9   TYRGLYTYRGLYALAARGGLYPHEPROPRO
10   VALILEPROGLYASNSERTHRLEUILEPHE
11   GLUVALGLULEULEUGLYILEASNASNLYS
12   ARGALA

Entity 2, Tacrolimus - C44 H69 N O12 - 804.018 Da.

1   FK5

Samples:

sample_1: FKBP12, [U-95% 13C; U-95% 15N], 0.39 mM; Tacrolimus 0.8 mM; sodium phosphate 20 mM; sodium chloride 100 mM; sodium azide 0.02%

sample_conditions_1: ionic strength: 100 mM; pH: 6.0; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1

Software:

AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

SPARKY, Goddard - data analysis, peak picking

TOPSPIN, Bruker Biospin - collection

VNMRJ, Varian - collection

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

NCBI XP_751096

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