Structure of PDB 2xzs Chain B Binding Site BS01

Receptor Information
>2xzs Chain B (length=293) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FRQENVDDYYDTGEELGSGQFAVVKKCREKSTGLQYAAKFIKKRRGVSRE
DIEREVSILKEIQHPNVITLHEVYENKTDVILILELVAGGELFDFLAEKE
SLTEEEATEFLKQILNGVYYLHSLQIAHFDLKPENIMLLDRNVPKPRIKI
IDFGLAHKIDFGNEFKNIFGTPEFVAPEIVNYEPLGLEADMWSIGVITYI
LLSGASPFLGDTKQETLANVSAVNYEFEDEYFSNTSALAKDFIRRLLVKD
PKKRMTIQDSLQHPWIKPKDTQQALSRKASAVNMEKFKKFAAR
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 chain2xzs Chain B Residue 1303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2xzs Death-Associated Protein Kinase Activity is Regulated by Coupled Calcium/Calmodulin Binding to Two Distinct Sites.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N144 D161
Binding residue
(residue number reindexed from 1)		N135 D152
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D139 K141 E143 N144 D161 T180
Catalytic site (residue number reindexed from 1) D130 K132 E134 N135 D152 T171
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:2xzs, PDBe:2xzs, PDBj:2xzs
PDBsum2xzs
PubMed27133022
UniProtP53355|DAPK1_HUMAN Death-associated protein kinase 1 (Gene Name=DAPK1)

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