Structure of PDB 4pf4 Chain A Binding Site BS01

Receptor Information
>4pf4 Chain A (length=278) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMTVFRQENVDDYYDTGEELGSGQFAVVKKCREKSTGLQYAAKFIKKRRT
KSSRRGVSREDIEREVSILKEIQHPNVITLHEVYENKTDVILILELVAGG
ELFDFLAEKESLTEEEATEFLKQILNGVYYLHSLQIAHFDLKPENIMLLD
RNVPKPRIKIIDFGLAHKIDFGNEFKNIFGTPEFVAPEIVNYEPLGLEAD
MWSIGVITYILLSGASPFLGDTKQETLANVSAVNYEFEDEYFSNTSALAK
DFIRRLLVKDPKKRMTIQDSLQHPWIKP
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 chain4pf4 Chain A Residue 313 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4pf4 1.1A X-RAY STRUCTURE OF THE APO CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE 1, aa 1-277
Resolution1.13 Å
Binding residue
(original residue number in PDB)		K42 D161
Binding residue
(residue number reindexed from 1)		K43 D162
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D139 K141 E143 N144 D161 T180
Catalytic site (residue number reindexed from 1) D140 K142 E144 N145 D162 T181
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:4pf4, PDBe:4pf4, PDBj:4pf4
PDBsum4pf4
PubMed
UniProtP53355|DAPK1_HUMAN Death-associated protein kinase 1 (Gene Name=DAPK1)

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