Structure of PDB 3js2 Chain B Binding Site BS01

Receptor Information
>3js2 Chain B (length=291) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVSEYELPEDPRWELPRDRLVLGKPLGEGAFGQVVLAEAIGLDKDKPNRV
TKVAVKMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLY
VIVEYASKGNLREYLQARRPPEQLSSKDLVSCAYQVARGMEYLASKKCIH
RDLAARNVLVTEDNVMKIADFGLARDIHHIDYYKKTTNGRLPVKWMAPEA
LFDRIYTHQSDVWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDK
PSNCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRIVALTS
Ligand information
Ligand IDVM1
InChIInChI=1S/C10H7NO2S/c12-10(13)8-4-7(5-11-6-8)9-2-1-3-14-9/h1-6H,(H,12,13)
InChIKeyDFWKRZGYBOVSKW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(sc1)c2cc(cnc2)C(=O)O
ACDLabs 11.02O=C(O)c2cncc(c1sccc1)c2
CACTVS 3.352OC(=O)c1cncc(c1)c2sccc2
FormulaC10 H7 N O2 S
Name5-(2-thienyl)nicotinic acid;
5-thiophen-2-ylpyridine-3-carboxylic acid;
5-(thien-2-yl)nicotinic acid
ChEMBL
DrugBank
ZINCZINC000000158696
PDB chain3js2 Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3js2 Discovery of novel fibroblast growth factor receptor 1 kinase inhibitors by structure-based virtual screening
Resolution2.2 Å
Binding residue
(original residue number in PDB)		V492 Y563 A564 L630
Binding residue
(residue number reindexed from 1)		V34 Y105 A106 L159
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D623 A625 R627 N628 D641
Catalytic site (residue number reindexed from 1) D152 A154 R156 N157 D170
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:3js2, PDBe:3js2, PDBj:3js2
PDBsum3js2
PubMed20121196
UniProtP11362|FGFR1_HUMAN Fibroblast growth factor receptor 1 (Gene Name=FGFR1)

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