Structure of PDB 4ypd Chain A Binding Site BS01

Receptor Information
>4ypd Chain A (length=281) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVFRQENVDDYYDTGEELGSGQFAVVKKCREKSTGLQYAAKFIKKRRTKS
SRRGVSREDIEREVSILKEIQHPNVITLHEVYENKTDVILILELVAGGEL
FDFLAEKESLTEEEATEFLKQILNGVYYLHSLQIAHFDLKPENIMLLDRN
VPKPRIKIIDFGLAHKIDFGNEFKNIFGTPEFVAPEIVNYEPLGLEADMW
SIGVITYILLSGASPFLGDTKQETLANVSAVNYEFEDEYFSNTSALAKDF
IRRLLVKDPKKRMTIQDSLQHPWIKPPQFEK
Ligand information
Ligand IDDKG
InChIInChI=1S/C5H6N2/c1-5-2-3-6-7-4-5/h2-4H,1H3
InChIKeyAIKUBOPKWKZULG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Cc1cnncc1
CACTVS 3.385
OpenEye OEToolkits 1.9.2		Cc1ccnnc1
FormulaC5 H6 N2
Name4-methylpyridazine
ChEMBL
DrugBank
ZINCZINC000001603717
PDB chain4ypd Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ypd Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		A40 V96 M146
Binding residue
(residue number reindexed from 1)		A39 V95 M145
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D139 K141 E143 N144 D161 T180
Catalytic site (residue number reindexed from 1) D138 K140 E142 N143 D160 T179
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein 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:4ypd, PDBe:4ypd, PDBj:4ypd
PDBsum4ypd
PubMed
UniProtP53355|DAPK1_HUMAN Death-associated protein kinase 1 (Gene Name=DAPK1)

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