Structure of PDB 4d5h Chain A Binding Site BS01

Receptor Information
>4d5h Chain A (length=255) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YEIQRERIELGRCIGEGQFGDVHQGIYMSPENPAMAVAIKTCKNCTSDSV
REKFLQEALTMRQFDHPHIVKLIGVITENPVWIIMELCTLGELRSFLQVR
KFSLDLASLILYAYQLSTALAYLESKRFVHRDIAARNVLVSATDCVKLGD
FKLPIKWMAPESINFRRFTSASDVWMFGVCMWEILMHGVKPFQGVKNNDV
IGRIENGERLPMPPNCPPTLYSLMTKCWAYDPSRRPRFTELKAQLSTILE
EEKLQ
Ligand information
Ligand ID9RM
InChIInChI=1S/C11H9F3N4O/c1-6-9(16-10(19)18-17-6)15-8-4-2-3-7(5-8)11(12,13)14/h2-5H,1H3,(H2,15,16,18,19)
InChIKeyDDMOHNSTFUBVJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C2N=NC(=C(Nc1cc(ccc1)C(F)(F)F)N2)C
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F
FormulaC11 H9 F3 N4 O
Name6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4H)-one
ChEMBL
DrugBank
ZINCZINC000000114382
PDB chain4d5h Chain A Residue 1687 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4d5h Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		I428 G429 E430 V436 A452 E500 L501 C502 G505 E506 L553
Binding residue
(residue number reindexed from 1)		I14 G15 E16 V22 A38 E86 L87 C88 G91 E92 L139
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D546 A548 R550 N551 D564 K583
Catalytic site (residue number reindexed from 1) D132 A134 R136 N137 D150 K152
Enzyme Commision number 2.7.10.2: non-specific 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

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Molecular Function
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Biological Process
External links
PDB RCSB:4d5h, PDBe:4d5h, PDBj:4d5h
PDBsum4d5h
PubMed25650936
UniProtQ00944|FAK1_CHICK Focal adhesion kinase 1 (Gene Name=PTK2)

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