Structure of PDB 4uwc Chain B Binding Site BS01

Receptor Information
>4uwc Chain B (length=301) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVSEYELPEDPRWELPRDRLVLGKPLGEGAFGQVVLAEAIGLDKPNRVTK
VAVKMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVI
VEYASKGNLREYLQARRPPGLEYSYHNPEEQLSSKDLVSCAYQVARGMEY
LASKKCIHRDLAARNVLVTEDNVMKIADFGLARDIHHIDYYKKTTNGRLP
VKWMAPEALFDRIYTHQSDVWSFGVLLWEIFTLGGSPYPGVPVEELFKLL
KEGHRMDKPSNCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRIVALTSN
Q
Ligand information
Ligand ID4Y0
InChIInChI=1S/C18H17N3O3/c1-23-15-9-8-13(10-16(15)24-2)18(22)19-17-11-14(20-21-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKeyQAZJUVDICQNITG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		COc1ccc(cc1OC)C(=O)Nc2cc([nH]n2)c3ccccc3
ACDLabs 12.01O=C(Nc2nnc(c1ccccc1)c2)c3ccc(OC)c(OC)c3
FormulaC18 H17 N3 O3
Name3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
ChEMBL
DrugBank
ZINCZINC000028240588
PDB chain4uwc Chain B Residue 1770 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4uwc Validation of IMS-MS as a screening tool to identify type II kinase inhibitors of FGFR1 kinase.
Resolution1.96 Å
Binding residue
(original residue number in PDB)		V492 A512 I545 V561 Y563 A564 S565 G567 E571 L630
Binding residue
(residue number reindexed from 1)		V34 A52 I85 V101 Y103 A104 S105 G107 E111 L167
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D623 A625 R627 N628 D641
Catalytic site (residue number reindexed from 1) D160 A162 R164 N165 D178
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:4uwc, PDBe:4uwc, PDBj:4uwc
PDBsum4uwc
PubMed34038603
UniProtP11362|FGFR1_HUMAN Fibroblast growth factor receptor 1 (Gene Name=FGFR1)

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