BMRB Entry 27083

Name: NMR backbone assignment of the Tyrosine Kinase domain of human fibroblast receptor 3 in apo state and in complex with inhibitor PD173074
Published: 2018-03-15

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27083

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

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

Deposition date:

2017-04-24

Original release date:

2018-03-15

Authors:

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

Citation:

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).
PubMed: 29478821

Assembly members:

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:

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

Experimental source:

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

Entity Sequences (FASTA):

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

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	289
15N chemical shifts	231
1H chemical shifts	227

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Holo FGFR3	1
2	PD173074	2

Entities:

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

1

SER

GLU

LEU

GLU

LEU

PRO

ALA

ASP

PRO

LYS

2

TRP

GLU

LEU

SER

ARG

ALA

ARG

LEU

THR

LEU

3

GLY

LYS

PRO

LEU

GLY

GLU

GLY

ALA

PHE

GLY

4

GLN

VAL

MET

ALA

GLU

ALA

ILE

GLY

ILE

5

ASP

LYS

ASP

ARG

ALA

LYS

PRO

VAL

THR

6

VAL

ALA

VAL

LYS

MET

LEU

LYS

ASP

ALA

7

THR

ASP

LYS

ASP

LEU

SER

ASP

LEU

VAL

SER

8

GLU

MET

GLU

MET

LYS

MET

ILE

GLY

LYS

9

HIS

LYS

ASN

ILE

ASN

LEU

GLY

ALA

10

CYS

THR

GLN

GLY

PRO

LEU

TYR

VAL

LEU

11

VAL

GLU

TYR

ALA

LYS

GLY

ASN

LEU

ARG

12

GLU

PHE

LEU

ARG

ALA

ARG

PRO

GLY

13

LEU

ASP

TYR

SER

PHE

ASP

THR

SER

LYS

PRO

14

PRO

GLU

GLN

LEU

THR

PHE

LYS

ASP

LEU

15

VAL

SER

CYS

ALA

TYR

GLN

VAL

ALA

ARG

GLY

16

MET

GLU

TYR

LEU

ALA

SER

GLN

LYS

CYS

ILE

17

HIS

ARG

ASP

LEU

ALA

ARG

ASN

VAL

LEU

18

VAL

THR

GLU

ASP

ASN

VAL

MET

LYS

ILE

ALA

19

ASP

PHE

GLY

LEU

ALA

ARG

ASP

VAL

HIS

ASN

20

LEU

ASP

TYR

LYS

THR

ASN

GLY

21

ARG

LEU

PRO

VAL

LYS

TRP

MET

ALA

PRO

GLU

22

ALA

LEU

PHE

ASP

ARG

VAL

TYR

THR

HIS

GLN

23

SER

ASP

VAL

TRP

SER

PHE

GLY

VAL

LEU

24

TRP

GLU

ILE

PHE

THR

LEU

GLY

SER

PRO

25

TYR

PRO

GLY

ILE

PRO

VAL

GLU

LEU

PHE

26

LYS

LEU

LYS

GLU

GLY

HIS

ARG

MET

ASP

27

LYS

PRO

ALA

ASN

CYS

THR

HIS

ASP

LEU

TYR

28

MET

ILE

MET

ARG

GLU

CYS

TRP

HIS

ALA

29

PRO

SER

GLN

ARG

PRO

THR

PHE

LYS

GLN

LEU

30

VAL

GLU

ASP

LEU

ASP

ARG

VAL

LEU

THR

VAL

31

THR

SER

THR

ASP

GLU

TYR

LEU

ASP

LEU

SER

32

ALA

PRO

PHE

GLU

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:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HCACO	sample_1	isotropic	sample_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 HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks