Structure of PDB 1agw Chain A Binding Site BS01

Receptor Information
>1agw Chain A (length=278) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELPEDPRWELPRDRLVLGKPLGQVVLAEAIGLPNRVTKVAVKMLKSDATE
KDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKGNLREY
LQARRPPEEQLSSKDLVSCAYQVARGMEYLASKKCIHRDLAARNVLVTED
NVMKIADFGLARDIHHIDYYKKTTNGRLPVKWMAPEALFDRIYTHQSDVW
SFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDKPSNCTNELYMMMR
DCWHAVPSQRPTFKQLVEDLDRIVALTS
Ligand information
Ligand IDSU2
InChIInChI=1S/C20H21N3O2/c24-14-22-9-11-23(12-10-22)16-7-5-15(6-8-16)13-18-17-3-1-2-4-19(17)21-20(18)25/h1-8,14,18H,9-13H2,(H,21,25)
InChIKeyAZGZGRJOCKSSHA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C(C(=O)N2)Cc3ccc(cc3)N4CCN(CC4)C=O
ACDLabs 10.04O=C2Nc1ccccc1C2Cc3ccc(cc3)N4CCN(C=O)CC4
CACTVS 3.341O=CN1CCN(CC1)c2ccc(C[CH]3C(=O)Nc4ccccc34)cc2
CACTVS 3.341O=CN1CCN(CC1)c2ccc(C[C@H]3C(=O)Nc4ccccc34)cc2
FormulaC20 H21 N3 O2
Name3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-2-INDOLINONE;
SU4984
ChEMBL
DrugBankDB02058
ZINC
PDB chain1agw Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1agw Structures of the tyrosine kinase domain of fibroblast growth factor receptor in complex with inhibitors.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		L484 A512 V561 E562 Y563 A564 S565 K566 G567 L630
Binding residue
(residue number reindexed from 1)		L21 A40 V89 E90 Y91 A92 S93 K94 G95 L146
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.70,IC50=20uM
Enzymatic activity
Catalytic site (original residue number in PDB) D623 A625 R627 N628 D641
Catalytic site (residue number reindexed from 1) D139 A141 R143 N144 D157
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:1agw, PDBe:1agw, PDBj:1agw
PDBsum1agw
PubMed9139660
UniProtP11362|FGFR1_HUMAN Fibroblast growth factor receptor 1 (Gene Name=FGFR1)

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