Structure of PDB 5kxa Chain A Binding Site BS01

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 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 chain5kxa Chain A Residue 902 [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)		D312 H316 H475
Binding residue
(residue number reindexed from 1)		D250 H254 H402
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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