Structure of PDB 8c3o Chain B Binding Site BS05

Receptor Information
>8c3o Chain B (length=768) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSCKGRCELCRCDNLCKSYTSCCHDFDELCLKTARGWECTKDRCGEVRNE
ENACHCSEDCLARGDCCTNYQVVCKGESHWVDDDCEEIKAAECPAGFVRP
PLIIFSVDGFRASYMKKGSKVMPNIEKLRSCGTHSPYMRPVYPTKTFPNL
YTLATGLYPESHGIVGNSMYDPVFDATFHLRGREKFNHRWWGGQPLWITA
TKQGVKAGTFFWSVVIPHERRILTILQWLTLPDHERPSVYAFYSEQPDFS
GHKYGPFGPEMTNPLREIDKIVGQLMDGLKQLKLHRCVNVIFVGDHGMED
VTCDRTEFLSNYLTNVDDITLVPGTLGRIRSKFSNNAKYDPKAIIAALTC
KKPDQHFKPYLKQHLPKRLHYANNRRIEDIHLLVERRWHVARKPLDVYCF
FQGDHGFDNKVNSMQTVFVGYGSTFKYKTKVPPFENIELYNVMCDLLGLK
PAPNNGTHGSLNHLLRTNTFRPTMPEEVTRPNYPGIMYLQSDFDLGCTCD
DERHLLYGRPAVLYRTRYDILYHTDFESGYSEIFLMPLWTSYTVSKQAEV
SSVPDHLTSCVRPDVRVSPSFSQNCLAYKNDKQMSYGFLFPPYLSSSPEA
KYDAFLVTNMVPMYPAFKRVWNYFQRVLVKKYASERNGVNVISGPIFDYD
YDGLHDTEDKIKQYVEGSSIPVPTHYYSIITSCLDFTQPADKCDGPLSVS
SFILPHRPDNEESCNSSEDESKWVEELMKMHTARVRDIEHLTSLDFFRKT
SRSYPEILTLKTYLHTYE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8c3o Chain B Residue 922 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8c3o Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Resolution2.47 Å
Binding residue
(original residue number in PDB)		D765 D767 D769 L771 D773
Binding residue
(residue number reindexed from 1)		D648 D650 D652 L654 D656
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.39: alkylglycerophosphoethanolamine phosphodiesterase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0005044 scavenger receptor activity
GO:0016787 hydrolase activity
GO:0030247 polysaccharide binding
GO:0046872 metal ion binding
Biological Process
GO:0006955 immune response

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8c3o, PDBe:8c3o, PDBj:8c3o
PDBsum8c3o
PubMed37976710
UniProtQ13822|ENPP2_HUMAN Autotaxin (Gene Name=ENPP2)

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