Structure of PDB 8c3o Chain B Binding Site BS04

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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8c3o Chain B Residue 905 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		D172 T210 D359 H360
Binding residue
(residue number reindexed from 1)		D108 T146 D295 H296
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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