Structure of PDB 8c3p Chain A Binding Site BS04

Receptor Information
>8c3p Chain A (length=778) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISGSCKGRCFELQEAGPPDCRCDNLCKSYTSCCHDFDELCLKTARGWECT
KDRCGEVRNEENACHCSEDCLARGDCCTNYQVVCKGESHWVDDDCEEIKA
AECPAGFVRPPLIIFSVDGFRASYMKKGSKVMPNIEKLRSCGTHSPYMRP
VYPTKTFPNLYTLATGLYPESHGIVGNSMYDPVFDATFHLRGREKFNHRW
WGGQPLWITATKQGVKAGTFFWSVVIPHERRILTILQWLTLPDHERPSVY
AFYSEQPDFSGHKYGPFGPEMTNPLREIDKIVGQLMDGLKQLKLHRCVNV
IFVGDHGMEDVTCDRTEFLSNYLTNVDDITLVPGTLGRIRSKFSNNAKYD
PKAIIAALTCKKPDQHFKPYLKQHLPKRLHYANNRRIEDIHLLVERRWHV
ARKPLDYKCFFQGDHGFDNKVNSMQTVFVGYGSTFKYKTKVPPFENIELY
NVMCDLLGLKPAPNNGTHGSLNHLLRTNTFRPTMPEEVTRPNYPGIMYLQ
SDFDLGCTCDDERHLLYGRPAVLYRTRYDILYHTDFESGYSEIFLMPLWT
SYTVSKQAEVSSVPDHLTSCVRPDVRVSPSFSQNCLAYKNDKQMSYGFLF
PPYLSSSPEAKYDAFLVTNMVPMYPAFKRVWNYFQRVLVKKYASERNGVN
VISGPIFDYDYDGLHDTEDKIKQYVEGSSIPVPTHYYSIITSCLDFTQPA
DKCDGPLSVSSFILPHRPDNEESCNSSEDESKWVEELMKMHTARVRDIEH
LTSLDFFRKTSRSYPEILTLKTYLHTYE
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 chain8c3p Chain A Residue 907 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8c3p Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Resolution2.38 Å
Binding residue
(original residue number in PDB)		S830 C831 S833
Binding residue
(residue number reindexed from 1)		S723 C724 S726
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:8c3p, PDBe:8c3p, PDBj:8c3p
PDBsum8c3p
PubMed37976710
UniProtQ13822|ENPP2_HUMAN Autotaxin (Gene Name=ENPP2)

[Back to BioLiP]