Structure of PDB 3dls Chain B Binding Site BS02

Receptor Information
>3dls Chain B (length=280) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVELEGLAACEGEYSQKYSTMSPLGSGAFGFVWTAVDKEKNKEVVVKFIK
KEWIEDPKLGKVTLEIAILSRVEHANIIKVLDIFENQGFFQLVMEKHGSG
LDLFAFIDRHPRLDEPLASYIFRQLVSAVGYLRLKDIIHRDIKDENIVIA
EDFTIKLIDFGSAAYLERGKLFYTFCGTIEYCAPEVLMGNPYRGPELEMW
SLGVTLYTLVFEENPFCELEETVEAAIHPPYLVSKELMSLVSGLLQPVPE
RRTTLEKLVTDPWVTQPVNLADYTWEEVFR
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 chain3dls Chain B Residue 19 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3dls Structural bases of PAS domain-regulated kinase (PASK) activation in the absence of activation loop phosphorylation.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		P1098 E1199
Binding residue
(residue number reindexed from 1)		P111 E212
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D1128 K1130 E1132 N1133 D1146 L1153 T1165
Catalytic site (residue number reindexed from 1) D141 K143 E145 N146 D159 L166 T178
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:3dls, PDBe:3dls, PDBj:3dls
PDBsum3dls
PubMed20943661
UniProtQ96RG2|PASK_HUMAN PAS domain-containing serine/threonine-protein kinase (Gene Name=PASK)

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