Structure of PDB 1fgi Chain A Binding Site BS01

Receptor Information
>1fgi Chain A (length=283) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELPEDPRWELPRDRLVLGKPLGEGAFGQVVLAEAIGLPNRVTKVAVKMLK
SDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKG
NLREYLQARRPPEEQLSSKDLVSCAYQVARGMEYLASKKCIHRDLAARNV
LVTEDNVMKIADFGLARDIHHIDYYKKTTNGRLPVKWMAPEALFDRIYTH
QSDVWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDKPSNCTNEL
YMMMRDCWHAVPSQRPTFKQLVEDLDRIVALTS
Ligand information
Ligand IDSU1
InChIInChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
InChIKeyJNDVEAXZWJIOKB-JYRVWZFOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c[nH]c(c1CCC(=O)O)\C=C/2\c3ccccc3NC2=O
ACDLabs 10.04O=C(O)CCc1c(cnc1/C=C3/c2ccccc2NC3=O)C
OpenEye OEToolkits 1.5.0Cc1c[nH]c(c1CCC(=O)O)C=C2c3ccccc3NC2=O
CACTVS 3.341Cc1c[nH]c(C=C2C(=O)Nc3ccccc23)c1CCC(O)=O
CACTVS 3.341Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1CCC(O)=O
FormulaC17 H16 N2 O3
Name3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE;
SU5402
ChEMBLCHEMBL89363
DrugBankDB08577
ZINCZINC000003815485
PDB chain1fgi Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1fgi Structures of the tyrosine kinase domain of fibroblast growth factor receptor in complex with inhibitors.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		G485 F489 A512 E562 Y563 A564 G567 L630
Binding residue
(residue number reindexed from 1)		G22 F26 A45 E95 Y96 A97 G100 L151
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.00,IC50=10uM
BindingDB: IC50=30nM
Enzymatic activity
Catalytic site (original residue number in PDB) D623 A625 R627 N628 D641
Catalytic site (residue number reindexed from 1) D144 A146 R148 N149 D162
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
View graph for
Biological Process
External links
PDB RCSB:1fgi, PDBe:1fgi, PDBj:1fgi
PDBsum1fgi
PubMed9139660
UniProtP11362|FGFR1_HUMAN Fibroblast growth factor receptor 1 (Gene Name=FGFR1)

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