Structure of PDB 8jmz Chain B Binding Site BS01

Receptor Information
>8jmz Chain B (length=292) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPAGVSEYELPEDPRWELPRDRLVLGKPLGEGCFGQVVLAEAIGLDKDKP
NRVTKVAVKMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDG
PLYVIVEYASKGNLREYLQARRPPGQLSSKDLVSCAYQVARGMEYLASKK
CIHRDLAARNVLVTEDNVMKIADFGLARDIDYYKKTTNGRLPVKWMAPEA
LFDRIYTHQSDVWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDK
PSNCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRIVALTSN
Ligand information
Ligand IDUKI
InChIInChI=1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29)
InChIKeyTTZSNFLLYPYKIL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN(C)CCN[S](=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)c1
OpenEye OEToolkits 2.0.7Cc1cc2cc(ccc2[nH]1)Oc3ccnc(n3)Nc4cccc(c4)CS(=O)(=O)NCCN(C)C
FormulaC24 H28 N6 O3 S
NameN-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide;
Sulfatinib
ChEMBL
DrugBank
ZINC
PDB chain8jmz Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8jmz Structural basis and selectivity of sulfatinib binding to FGFR and CSF-1R.
Resolution1.988 Å
Binding residue
(original residue number in PDB)		L484 G485 F489 V492 A512 K514 E531 V561 A564 G567 L630
Binding residue
(residue number reindexed from 1)		L29 G30 F34 V37 A57 K59 E76 V106 A109 G112 L162
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.10.1: receptor protein-tyrosine kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004713 protein tyrosine kinase activity
GO:0005007 fibroblast growth factor receptor activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:8jmz, PDBe:8jmz, PDBj:8jmz
PDBsum8jmz
PubMed38172256
UniProtP11362|FGFR1_HUMAN Fibroblast growth factor receptor 1 (Gene Name=FGFR1)

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