Structure of PDB 5zv2 Chain B Binding Site BS01

Receptor Information
>5zv2 Chain B (length=282) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSEYELPEDPRWELPRDRLVLGKPLGEGAFGQVVLAEAIGLDKDKPNRVT
KVAVKMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYV
IVEYASKGNLREYLQARRPEEQLSSKDLVSCAYQVARGMEYLASKKCIHR
DLAARNVLVTEDNVMKIADFGLDYYKKTRLPVKWMAPEALFDRIYTHQSD
VWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDKPSNCTNELYMM
MRDCWHAVPSQRPTFKQLVEDLDRIVALTSNQ
Ligand information
Ligand IDLEV
InChIInChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)
InChIKeyWOSKHXYHFSIKNG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O
OpenEye OEToolkits 1.7.6COc1cc2c(cc1C(=O)N)c(ccn2)Oc3ccc(c(c3)Cl)NC(=O)NC4CC4
ACDLabs 12.01COc2cc1nccc(c1cc2C(N)=O)Oc3cc(c(cc3)NC(=O)NC4CC4)Cl
FormulaC21 H19 Cl N4 O4
Name4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide;
lenvatinib
ChEMBLCHEMBL1289601
DrugBankDB09078
ZINCZINC000003816292
PDB chain5zv2 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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PDB5zv2 Lenvatinib inhibits angiogenesis and tumor fibroblast growth factor signaling pathways in human hepatocellular carcinoma models.
Resolution2.86 Å
Binding residue
(original residue number in PDB)		L484 G485 F489 A512 E531 M535 V561 Y563 A564 L630
Binding residue
(residue number reindexed from 1)		L25 G26 F30 A53 E72 M76 V102 Y104 A105 L158
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D623 R627 N628 D641
Catalytic site (residue number reindexed from 1) D151 R155 N156 D169
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:5zv2, PDBe:5zv2, PDBj:5zv2
PDBsum5zv2
PubMed29733511
UniProtP11362|FGFR1_HUMAN Fibroblast growth factor receptor 1 (Gene Name=FGFR1)

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