Structure of PDB 6v9c Chain A Binding Site BS01

Receptor Information
>6v9c Chain A (length=279) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLPLDPLWEFPRDRLVLGKPLGEGQVVRAEAFGMDPARPDQASTVAVKML
KDNASDKDLADLVSEMEVMKLIGRHKNIINLLGVCTQEGPLYVIVECAAK
GNLREFLRARRPPSEGPLSFPVLVSCAYQVARGMQYLESRKCIHRDLAAR
NVLVTEDNVMKIADFGLIDYYKKTSNGRLPVKWMAPEALFDRVYTHQSDV
WSFGILLWEIFTLGGSPYPGIPVEELFSLLREGHRMDRPPHCPPELYGLM
RECWHAAPSQRPTFKQLVEALDKVLLAVS
Ligand information
Ligand IDQS7
InChIInChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1
InChIKeyZIJVLVUPDVUSMA-UONOGXRCSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c13nc(ncc1C=C(c2c(c(OC)cc(c2Cl)OC)Cl)C(N3C)=O)NC4C(COC4)NC(=O)[C@H]=C
OpenEye OEToolkits 2.0.7CN1c2c(cnc(n2)N[C@@H]3COC[C@@H]3NC(=O)C=C)C=C(C1=O)c4c(c(cc(c4Cl)OC)OC)Cl
CACTVS 3.385COc1cc(OC)c(Cl)c(c1Cl)C2=Cc3cnc(N[CH]4COC[CH]4NC(=O)C=C)nc3N(C)C2=O
OpenEye OEToolkits 2.0.7CN1c2c(cnc(n2)NC3COCC3NC(=O)C=C)C=C(C1=O)c4c(c(cc(c4Cl)OC)OC)Cl
CACTVS 3.385COc1cc(OC)c(Cl)c(c1Cl)C2=Cc3cnc(N[C@@H]4COC[C@@H]4NC(=O)C=C)nc3N(C)C2=O
FormulaC23 H23 Cl2 N5 O5
NameN-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide
ChEMBLCHEMBL4761518
DrugBank
ZINC
PDB chain6v9c Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6v9c Discovery of Selective, Covalent FGFR4 Inhibitors with Antitumor Activity in Models of Hepatocellular Carcinoma.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		V481 R483 T499 K503 E520 M524 V550 C552 A553 G556 L619 A629 D630
Binding residue
(residue number reindexed from 1)		V26 R28 T44 K48 E65 M69 V95 C97 A98 G101 L153 A163 D164
Annotation score1
Binding affinityBindingDB: IC50=<100nM
Enzymatic activity
Catalytic site (original residue number in PDB) D612 R616 N617 D630
Catalytic site (residue number reindexed from 1) D146 R150 N151 D164
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:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6v9c, PDBe:6v9c, PDBj:6v9c
PDBsum6v9c
PubMed33062171
UniProtP22455|FGFR4_HUMAN Fibroblast growth factor receptor 4 (Gene Name=FGFR4)

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