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 T57700 Target Info
Target Name Tyrosine-protein kinase Kit (KIT)
Synonyms v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog; p145 c-kit; Proto-oncogene tyrosine-protein kinase Kit; Proto-oncogene c-Kit; Piebald trait protein; PBT; Mast/stem cell growth factor receptor Kit; CD117 antigen; CD117; C-kit
Target Type Successful Target
Gene Name KIT
Biochemical Class Kinase
UniProt ID
KIT_HUMAN
Ligand General Information  Top
Ligand Name Sunitinib Ligand Info
Canonical SMILES CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C
InChI 1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
InChIKey WINHZLLDWRZWRT-ATVHPVEESA-N
PubChem Compound ID 5329102
Drug Binding Sites of Target  Top
PDB ID: 3G0E      KIT kinase domain in complex with sunitinib
Method X-ray diffraction Resolution 1.60 Å Mutation No [1]
PDB Sequence
GPTYKYLQKP
551
MYEVQWKVVE
561
EINGNNYVYI
571
DPTQLPYDHK
581
WEFPRNRLSF
591

GKTLGAGAFG
601
KVVEATAYGL
611
IKSDAAMTVA
621
VKMLKPSAHL
631
TEREALMSEL
641

KVLSYLGNHM
651
NIVNLLGACT
661
IGGPTLVITE
671
YCCYGDLLNF
681
LRRKRDSFIC
691

SKTSPAIMED
759
DELALDLEDL
769
LSFSYQVAKG
779
MAFLASKNCI
789
HRDLAARNIL
799

LTHGRITKIC
809
DFGLARDIKN
819
DSNYVVKGNA
829
RLPVKWMAPE
839
SIFNCVYTFE
849

SDVWSYGIFL
859
WELFSLGSSP
869
YPGMPVDSKF
879
YKMIKEGFRM
889
LSPEHAPAEM
899

YDIMKTCWDA
909
DPLKRPTFKQ
919
IVQLIEKQIS
929
ES
Residue
Distance (Å)
LYS593
4.447
LEU595
3.252
GLY596
4.884
VAL603
3.499
ALA621
3.365
LYS623
4.151
VAL654
3.926
THR670
3.324
GLU671
2.979
TYR672
3.555
Residue
Distance (Å)
CYS673
2.743
CYS674
3.479
TYR675
4.363
GLY676
3.624
ASP677
4.519
LEU799
3.555
CYS809
3.480
ASP810
3.223
PHE811
3.538
ALA814
3.743
PDB ID: 3G0F      KIT kinase domain mutant D816H in complex with sunitinib
Method X-ray diffraction Resolution 2.60 Å Mutation Yes [1]
PDB Sequence
NNYVYIDPTQ
575
LPYDHKWEFP
585
RNRLSFGKTL
595
GAGAFGKVVE
605
ATAYGLIKSD
615

AAMTVAVKML
625
KPSAHLTERE
635
ALMSELKVLS
645
YLGNHMNIVN
655
LLGACTIGGP
665

TLVITEYCCY
675
GDLLNFLRRK
685
RDSFLDLEDL
769
LSFSYQVAKG
779
MAFLASKNCI
789

HRDLAARNIL
799
LTHGRITKIC
809
DFGLARHIKN
819
DSNYVVKGNA
829
RLPVKWMAPE
839

SIFNCVYTFE
849
SDVWSYGIFL
859
WELFSLGSSP
869
YPGMPVDSKF
879
YKMIKEGFRM
889

LSPEHAPAEM
899
YDIMKTCWDA
909
DPLKRPTFKQ
919
IVQLIEKQIS
929
E
Residue
Distance (Å)
LEU595
3.706
VAL603
3.575
ALA621
3.530
LYS623
4.264
VAL654
4.141
THR670
3.506
GLU671
2.972
TYR672
3.546
CYS673
2.647
Residue
Distance (Å)
CYS674
3.504
TYR675
4.618
GLY676
3.733
ASP677
3.868
LEU799
3.576
CYS809
3.434
ASP810
3.710
PHE811
3.718
ALA814
4.508
References  Top
REF 1 KIT kinase mutants show unique mechanisms of drug resistance to imatinib and sunitinib in gastrointestinal stromal tumor patients. Proc Natl Acad Sci U S A. 2009 Feb 3;106(5):1542-7.

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