Structure of PDB 5uq0 Chain A Binding Site BS01

Receptor Information
>5uq0 Chain A (length=266) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELPEDPRWELPRDRLVLGKPLGEFGQVVLAEAIGLDKPNRVTKVAVKMLK
SDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKG
NLREYLQARRPEQLSSKDLVSCAYQVARGMEYLASKKCIHRDLAARNVLV
TEDNVMKIADFGLLPVKWMAPEALFDRIYTHQSDVWSFGVLLWEIFTLGG
SPYPGVPVELFKLLKEGHRMDKPSNCTNELYMMMRDCWHAVPSQRPTFKQ
LVEDLDRIVALTSNQE
Ligand information
Ligand IDWP1
InChIInChI=1S/C11H13NO2/c1-11(2)6-7-4-3-5-8(10(12)13)9(7)14-11/h3-5H,6H2,1-2H3,(H2,12,13)
InChIKeyXEJUYZUPHDEACN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1(Cc2cccc(c2O1)C(=O)N)C
CACTVS 3.385CC1(C)Cc2cccc(C(N)=O)c2O1
ACDLabs 12.01C1C(C)(C)Oc2c1cccc2C(N)=O
FormulaC11 H13 N O2
Name2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
ChEMBL
DrugBank
ZINCZINC000013466591
PDB chain5uq0 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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PDB5uq0 Fragment screening diverse active sites
Resolution2.3 Å
Binding residue
(original residue number in PDB)		L484 A512 Y563 A564 L630
Binding residue
(residue number reindexed from 1)		L21 A45 Y96 A97 L149
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D623 A625 R627 N628 D641
Catalytic site (residue number reindexed from 1) D142 A144 R146 N147 D160
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

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Molecular Function
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Biological Process
External links
PDB RCSB:5uq0, PDBe:5uq0, PDBj:5uq0
PDBsum5uq0
PubMed
UniProtP11362|FGFR1_HUMAN Fibroblast growth factor receptor 1 (Gene Name=FGFR1)

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