Structure of PDB 4tyi Chain A Binding Site BS01

Receptor Information
>4tyi Chain A (length=277) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAGLVSLDLPLDPLWEFPRDRLVLGKPLGEGCFGQVVRAEAFGMDPARPD
QASTVAVKMLKDNASDKDLADLVSEMEVMKLIGRHKNIINLLGVCTQEGP
LYVIVECAAKGNLREFLRARRPPPLSFPVLVSCAYQVARGMQYLESRKCI
HRDLAARNVLVTEDNVMKIADFGLARGLPVKWMAPEALFDRVYTHQSDVW
SFGILLWEIFTLGGSPYPGIPVEELFSLLREGHRMDRPPHCPPELYGLMR
ECWHAAPSQRPTFKQLVEALDKVLLAV
Ligand information
Ligand ID38O
InChIInChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)
InChIKeyPIQCTGMSNWUMAF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)C4=C(c5c(cccc5F)NC4=O)N
CACTVS 3.385CN1CCN(CC1)c2ccc3[nH]c(nc3c2)C4=C(N)c5c(F)cccc5NC4=O
ACDLabs 12.01Fc1cccc2c1C(N)=C(C(=O)N2)c4nc5cc(N3CCN(C)CC3)ccc5n4
FormulaC21 H21 F N6 O
Name4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one;
Dovitinib
ChEMBLCHEMBL522892
DrugBankDB05928
ZINCZINC000003816310
PDB chain4tyi Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4tyi Structural analysis of the human fibroblast growth factor receptor 4 kinase.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		I534 V550 A553 G556 L619
Binding residue
(residue number reindexed from 1)		I89 V105 A108 G111 L160
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D612 A614 R616 N617 D630
Catalytic site (residue number reindexed from 1) D153 A155 R157 N158 D171
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:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4tyi, PDBe:4tyi, PDBj:4tyi
PDBsum4tyi
PubMed25219510
UniProtP22455|FGFR4_HUMAN Fibroblast growth factor receptor 4 (Gene Name=FGFR4)

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