Structure of PDB 5kxa Chain A Binding Site BS03

Receptor Information
>5kxa Chain A (length=751) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSCKGRCFELQCRCDNLCKSYTSCCHDFDELCLKTARGWECTKDRCGEVR
NEENACHCSEDCLARGDCCTNYQVVCKGESHWVDDDCEEIKAAECPAGFV
RPPLIIFSVDGFRASYMKKGSKVMPNIEKLRSCGTHSPYMRPVYPTKTFP
NLYTLATGLYPESHGIVGNSMYDPVFDATFHLRGREKFNHRWWGGQPLWI
TATKQGVKAGTFFWSVVIPHERRILTILQWLTLPDHERPSVYAFYSEQPD
FSGHKYGPFGPEMTNPLREIDKIVGQLMDGLKQLKLHRCVNVIFVGDHGM
EDVTCDRTEFLSNYLTNVDDITLVPGTLGRIRSKFSNNAKYDPKAIIAAL
TCKKPDQHFKPYLKQHLPKRLHYANNRRIEDIHLLVERRWHVARKPFFQG
DHGFDNKVNSMQTVFVGYGSTFKYKTKVPPFENIELYNVMCDLLGLKPAP
NNGTHGSLNHLLRTNTFRPTMPEEVTRPNYPGIMYLQSDFDLGTEERHLL
YGRPAVLYRTRYDILYHTDFESGYSEIFLMPLWTSYTVSKQACVRPDVRV
SPSFSQNCLAYKNDKQMSYGFLFPPYLSSSPEAKYDAFLVTNMVPMYPAF
KRVWNYFQRVLVKKYASERNGVNVISGPIFDYDYDGLHDTEDKIKQYVEG
SSIPVPTHYYSIITSCLDFTQPADKCDGPLSVSSFILPHRPDNEESCNSS
EDESKWVEELMKMHTARVRDIEHLTSLDFFRKTSRSYPEILTLKTYLHTY
E
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 chain5kxa Chain A Residue 904 [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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PDB5kxa Selective Inhibition of Autotaxin Is Efficacious in Mouse Models of Liver Fibrosis.
Resolution2.59 Å
Binding residue
(original residue number in PDB)		D740 D742 D744 L746 H747 D748
Binding residue
(residue number reindexed from 1)		D631 D633 D635 L637 H638 D639
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:5kxa, PDBe:5kxa, PDBj:5kxa
PDBsum5kxa
PubMed27754931
UniProtQ13822|ENPP2_HUMAN Autotaxin (Gene Name=ENPP2)

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