Structure of PDB 5mhp Chain A

Receptor sequence
>5mhpA (length=768) Species: 9606 (Homo sapiens) [Search protein sequence]
WTNISGSCKGRCFELCRCDNLCKSYTSCCHDFDELCLKTARGWECTKDRC
GEVRNEENACHCSEDCLARGDCCTNYQVVCKGESHWVDDDCEEIKAAECP
AGFVRPPLIIFSVDGFRASYMKKGSKVMPNIEKLRSCGTHSPYMRPVYPT
KTFPNLYTLATGLYPESHGIVGNSMYDPVFDATFHLRGREKFNHRWWGGQ
PLWITATKQGVKAGTFFWSVVIPHERRILTILQWLTLPDHERPSVYAFYS
EQPDFSGHKYGPFGPEMTNPLREIDKIVGQLMDGLKQLKLHRCVNVIFVG
DHGMEDVTCDRTEFLSNYLTNVDDITLVPGTLGRIRSKFSNNAKYDPKAI
IANLTCKKPDQHFKPYLKQHLPKRLHYANNRRIEDIHLLVERRWHVARKP
CFFQGDHGFDNKVNSMQTVFVGYGPTFKYKTKVPPFENIELYNVMCDLLG
LKPAPNNGTHGSLNHLLRTFRPTMPEEVTRPNYPGIMYLQSDFDLGCTCT
EERHLLYGRPAVLYRTRYDILYHTDFESGYSEIFLMPLWTSYTVSKQAEV
SSVPDHLTSCVRPDVRVSPSFSQNCLAYKNDKQMSYGFLFPPYLSSSPEA
KYDAFLVTNMVPMYPAFKRVWNYFQRVLVKKYASERNGVNVISGPIFDYD
YDGLHDTEDKIKQYVEGSSIPVPTHYYSIITSCLDFTQPADKCDGPLSVS
SFILPHRPDNEESCNSSEDESKWVEELMKMHTARVRDIEHLTSLDFFRKT
SRSYPEILTLKTYLHTYE
3D structure
PDB5mhp Discovery of 2-[[2-Ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)thiazole-5-carbonitrile (GLPG1690), a First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation for the Treatment of Idiopathic Pulmonary Fibrosis.
ChainA
Resolution2.43 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 3.1.4.39: alkylglycerophosphoethanolamine phosphodiesterase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 MAN A S225 G256 S167 G198
BS02 MAN A E224 S225 N437 E166 S167 N379
BS03 ZN A D172 T210 D359 H360 D114 T152 D301 H302
BS04 ZN A D312 H316 H475 D254 H258 H407
BS05 CA A D740 D742 D744 L746 D748 D648 D650 D652 L654 D656
BS06 MG A Y670 D673 M676 Y578 D581 M584
BS07 7NB A F211 L214 H252 W255 W261 F274 F275 Y307 F153 L156 H194 W197 W203 F216 F217 Y249 MOAD: Ki=15nM
PDBbind-CN: -logKd/Ki=7.82,Ki=15nM
BindingDB: IC50=300nM,Ki=15nM
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

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Molecular Function
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Biological Process
External links
PDB RCSB:5mhp, PDBe:5mhp, PDBj:5mhp
PDBsum5mhp
PubMed28414242
UniProtQ13822|ENPP2_HUMAN Autotaxin (Gene Name=ENPP2)

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