BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 27083

Title: NMR backbone assignment of the Tyrosine Kinase domain of human fibroblast receptor 3 in apo state and in complex with inhibitor PD173074   PubMed: 29478821

Deposition date: 2017-04-24 Original release date: 2018-03-15

Authors: Sanfelice, Domenico; Koss, Hans; Bunney, Tom; Katan, Matilda

Citation: Bunney, Tom; Inglis, Alison; Sanfelice, Domenico; Farrell, Brendan; Kerr, Christopher; Thompson, Gary; Masson, Glenn; Thiyagarajan, Nethaji; Svergun, Dmitri; Williams, Roger; Breeze, Alexander; Katan, Matilda. "Disease Variants of FGFR3 Reveal Molecular Basis for the Recognition and Additional Roles for Cdc37 in Hsp90 Chaperone System"  Structure 26, 446-458 (2018).

Assembly members:
FGFR3, polymer, 314 residues, Formula weight is not available
1-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)-PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA, non-polymer, 523.670 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
FGFR3: SELELPADPKWELSRARLTL GKPLGEGAFGQVVMAEAIGI DKDRAAKPVTVAVKMLKDDA TDKDLSDLVSEMEMMKMIGK HKNIINLLGACTQGGPLYVL VEYAAKGNLREFLRARRPPG LDYSFDTSKPPEEQLTFKDL VSCAYQVARGMEYLASQKCI HRDLAARNVLVTEDNVMKIA DFGLARDVHNLDYYKKTTNG RLPVKWMAPEALFDRVYTHQ SDVWSFGVLLWEIFTLGGSP YPGIPVEELFKLLKEGHRMD KPANCTHDLYMIMRECWHAA PSQRPTFKQLVEDLDRVLTV TSTDEYLDLSAPFE

Data sets:
Data typeCount
13C chemical shifts289
15N chemical shifts231
1H chemical shifts227

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Holo FGFR31
2PD1730742

Entities:

Entity 1, Holo FGFR3 314 residues - Formula weight is not available

1   SERGLULEUGLULEUPROALAASPPROLYS
2   TRPGLULEUSERARGALAARGLEUTHRLEU
3   GLYLYSPROLEUGLYGLUGLYALAPHEGLY
4   GLNVALVALMETALAGLUALAILEGLYILE
5   ASPLYSASPARGALAALALYSPROVALTHR
6   VALALAVALLYSMETLEULYSASPASPALA
7   THRASPLYSASPLEUSERASPLEUVALSER
8   GLUMETGLUMETMETLYSMETILEGLYLYS
9   HISLYSASNILEILEASNLEULEUGLYALA
10   CYSTHRGLNGLYGLYPROLEUTYRVALLEU
11   VALGLUTYRALAALALYSGLYASNLEUARG
12   GLUPHELEUARGALAARGARGPROPROGLY
13   LEUASPTYRSERPHEASPTHRSERLYSPRO
14   PROGLUGLUGLNLEUTHRPHELYSASPLEU
15   VALSERCYSALATYRGLNVALALAARGGLY
16   METGLUTYRLEUALASERGLNLYSCYSILE
17   HISARGASPLEUALAALAARGASNVALLEU
18   VALTHRGLUASPASNVALMETLYSILEALA
19   ASPPHEGLYLEUALAARGASPVALHISASN
20   LEUASPTYRTYRLYSLYSTHRTHRASNGLY
21   ARGLEUPROVALLYSTRPMETALAPROGLU
22   ALALEUPHEASPARGVALTYRTHRHISGLN
23   SERASPVALTRPSERPHEGLYVALLEULEU
24   TRPGLUILEPHETHRLEUGLYGLYSERPRO
25   TYRPROGLYILEPROVALGLUGLULEUPHE
26   LYSLEULEULYSGLUGLYHISARGMETASP
27   LYSPROALAASNCYSTHRHISASPLEUTYR
28   METILEMETARGGLUCYSTRPHISALAALA
29   PROSERGLNARGPROTHRPHELYSGLNLEU
30   VALGLUASPLEUASPARGVALLEUTHRVAL
31   THRSERTHRASPGLUTYRLEUASPLEUSER
32   ALAPROPHEGLU

Entity 2, PD173074 - C28 H41 N7 O3 - 523.670 Da.

1   PD1

Samples:

sample_1: FGFR3, [U-100% 13C; U-100% 15N], 0.150 mM; PD 173074 0.4 mM; PIPES-NaOH 50 mM; NaCl 50 mM; TCEP 2 mM; EDTA 1 mM

sample_conditions_1: ionic strength: 50 mM; pH: 7; pressure: 1 atm; temperature: 303.2 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HCACOsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.5, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 750 MHz
  • Bruker Avance 800 MHz
  • Bruker Avance 950 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts