Structure of PDB 1agw Chain B Binding Site BS01
Receptor Information
>1agw Chain B (length=272) Species:
9606
(Homo sapiens) [
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SEYELPEDPRWELPRDRLVLGKPLGEGAFGQVVLAEAIGLPNRVTKVAVK
MLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYA
SKGNLREYLQARRQLSSKDLVSCAYQVARGMEYLASKKCIHRDLAARNVL
VTEDNVMKIADFGLADYYKKGRLPVKWMAPEALFDRIYTHQSDVWSFGVL
LWEIFTLGGSPYPGVPVEELFKLLKEGHRMDKPSNCTNELYMMMRDCWHA
VPSQRPTFKQLVEDLDRIVALT
Ligand information
Ligand ID
SU2
InChI
InChI=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)
InChIKey
AZGZGRJOCKSSHA-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1ccc2c(c1)C(C(=O)N2)Cc3ccc(cc3)N4CCN(CC4)C=O
ACDLabs 10.04
O=C2Nc1ccccc1C2Cc3ccc(cc3)N4CCN(C=O)CC4
CACTVS 3.341
O=CN1CCN(CC1)c2ccc(C[CH]3C(=O)Nc4ccccc34)cc2
CACTVS 3.341
O=CN1CCN(CC1)c2ccc(C[C@H]3C(=O)Nc4ccccc34)cc2
Formula
C20 H21 N3 O2
Name
3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-2-INDOLINONE;
SU4984
ChEMBL
DrugBank
DB02058
ZINC
PDB chain
1agw Chain B Residue 1000 [
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Receptor-Ligand Complex Structure
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PDB
1agw
Structures of the tyrosine kinase domain of fibroblast growth factor receptor in complex with inhibitors.
Resolution
2.4 Å
Binding residue
(original residue number in PDB)
A512 I545 E562 Y563 A564 S565 G567 L630
Binding residue
(residue number reindexed from 1)
A48 I81 E98 Y99 A100 S101 G103 L150
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
D623 A625 R627 N628 D641
Catalytic site (residue number reindexed from 1)
D143 A145 R147 N148 D161
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
PDBsum
1agw
PubMed
9139660
UniProt
P11362
|FGFR1_HUMAN Fibroblast growth factor receptor 1 (Gene Name=FGFR1)
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