Structure of PDB 1jkk Chain A Binding Site BS01

Receptor Information
>1jkk Chain A (length=277) 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
IRRLLVKDPKKRMTIQDSLQHPWIKPF
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain1jkk Chain A Residue 510 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1jkk Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		N144 D161
Binding residue
(residue number reindexed from 1)		N143 D160
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:1jkk, PDBe:1jkk, PDBj:1jkk
PDBsum1jkk
PubMed11573098
UniProtP53355|DAPK1_HUMAN Death-associated protein kinase 1 (Gene Name=DAPK1)

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