Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T53524 Target Info
Target Name Platelet-derived growth factor receptor alpha (PDGFRA)
Synonyms RHEPDGFRA; Platelet-derived growth factor receptor 2; Platelet-derived growth factor alpha receptor; PDGFR2; PDGFR-alpha; PDGFR-2; PDGF-R-alpha; CD140a antigen; CD140a; CD140 antigen-like family member A; Alpha-type platelet-derived growth factor receptor; Alpha platelet-derived growth factor receptor
Target Type Successful Target
Gene Name PDGFRA
Biochemical Class Kinase
UniProt ID
PGFRA_HUMAN
Ligand General Information  Top
Ligand Name CP-868596 Ligand Info
Canonical SMILES CC1(COC1)COC2=CC3=C(C=C2)N(C=N3)C4=NC5=C(C=CC=C5N6CCC(CC6)N)C=C4
InChI 1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3
InChIKey DYNHJHQFHQTFTP-UHFFFAOYSA-N
PubChem Compound ID 10366136
Drug Binding Sites of Target  Top
PDB ID: 6JOI      Crystal structure of PDGFRA T674I in complex with crenolanib by co-crystallization
Method X-ray diffraction Resolution 3.10 Å Mutation Yes [1]
PDB Sequence
GHEYIYVDPM
578
QLPYDSRWEF
588
PRDGLVLGRV
598
LGSGAFGKVV
608
EGTAYGLSRS
618

QPVMKVAVKM
628
LKPTARSSEK
638
QALMSELKIM
648
THLGPHLNIV
658
NLLGACTKSG
668

PIYIIIEYCF
678
YGDLVNYLHK
688
NRDSFLGLTL
792
LDLLSFTYQV
802
ARGMEFLASK
812

NCVHRDLAAR
822
NVLLAQGKIV
832
KICDFGLTFL
857
PVKWMAPESI
867
FDNLYTTLSD
877

VWSYGILLWE
887
IFSLGGTPYP
897
GMMVDSTFYN
907
KIKSGYRMAK
917
PDHATSEVYE
927

IMVKCWNSEP
937
EKRPSFYHLS
947
EIVENLLPGQ
957
YKKSYEKIHL
967
DFLKSD
Residue
Distance (Å)
LEU599
3.349
GLY600
3.838
VAL607
4.057
ALA625
3.971
LYS627
4.788
VAL658
4.549
ILE674
4.189
GLU675
3.526
TYR676
3.567
CYS677
3.109
Residue
Distance (Å)
PHE678
3.276
TYR679
3.661
GLY680
3.696
ASP681
3.871
ARG822
3.038
ASN823
4.849
LEU825
3.539
CYS835
4.107
ASP836
2.474
PDB ID: 6JOJ      Crystal structure of PDGFRA T674I in complex with crenolanib by soaking
Method X-ray diffraction Resolution 2.60 Å Mutation No [2]
PDB Sequence
RYEIRWRVIE
563
SISPDGHEYI
573
YVDPMQLPYD
583
SRWEFPRDGL
593
VLGRVLGSGA
603

FGKVVEGTAY
613
GLSRSQPVMK
623
VAVKMLKPTA
633
RSSEKQALMS
643
ELKIMTHLGP
653

HLNIVNLLGA
663
CTKSGPIYII
673
TEYCFYGDLV
683
NYLHKNRDSF
693
LSVKNLLSDD
785

NSEGLTLLDL
795
LSFTYQVARG
805
MEFLASKNCV
815
HRDLAARNVL
825
LAQGKIVKIC
835

DFGLARDIMH
845
DSNYVSKGST
855
FLPVKWMAPE
865
SIFDNLYTTL
875
SDVWSYGILL
885

WEIFSLGGTP
895
YPGMMVDSTF
905
YNKIKSGYRM
915
AKPDHATSEV
925
YEIMVKCWNS
935

EPEKRPSFYH
945
LSEIVENLLP
955
GQYKKSYEKI
965
HLDFLKSD
Residue
Distance (Å)
LEU599
3.668
GLY600
4.257
VAL607
4.071
ALA625
3.440
LYS627
3.283
VAL658
4.256
THR674
3.752
GLU675
3.614
TYR676
3.326
CYS677
2.852
PHE678
2.528
Residue
Distance (Å)
TYR679
3.952
GLY680
3.853
ASP681
4.659
LEU825
3.374
CYS835
4.264
ASP836
3.453
PHE837
3.990
GLY838
4.889
ALA840
3.794
ARG841
3.832
References  Top
REF 1 Crystal structure of PDGFRA T674I in complex with crenolanib by co-crystallization
REF 2 Crystal structure of PDGFRA in complex with crenolanib by soaking

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