Structure of PDB 3nkr Chain A Binding Site BS01

Receptor Information

>3nkr Chain A (length=779) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

WTNTSGSCKGRCFELQEVGPPDCRCDNLCKSYSSCCHDFDELCLKTARGW
ECTKDRCGEVRNEENACHCSEDCLSRGDCCTNYQVVCKGESHWVDDDCEE
IRVPECPAGFVRPPLIIFSVDGFRASYMKKGSKVMPNIEKLRSCGTHAPY
MRPVYPTKTFPNLYTLATGLYPESHGIVGNSMYDPVFDATFHLRGREKFN
HRWWGGQPLWITATKQGVRAGTFFWSVSIPHERRILTILQWLSLPDNERP
SVYAFYSEQPDFSGHKYGPFGPEMTNPLREIDKTVGQLMDGLKQLKLHRC
VNVIFVGDHGMEDVTCDRTEFLSNYLTNVDDITLVPGTLGRIRPKIPNNL
KYDPKAIIANLTCKKPDQHFKPYMKQHLPKRLHYANNRRIEDLHLLVERR
WHVARKPLCFFQGDHGFDNKVNSMQTVFVGYGPTFKYRTKVPPFENIELY
NVMCDLLGLKPAPNNGTHGSLNHLLRTNTFRPTLPEEVSRPNYPGIMYLQ
SDFDLGCTCDTEERHLLYGRPAVLYRTSYDILYHTDFESGYSEIFLMPLW
TSYTISKQAEVSSIPEHLTNCVRPDVRVSPGFSQNCLAYKNDKQMSYGFL
FPPYLSSSPEAKYDAFLVTNMVPMYPAFKRVWTYFQRVLVKKYASERNGV
NVISGPIFDYNYNGLRDIEDEIKQYVEGSSIPVPTHYYSIITSCLDFTQP
ADKCDGPLSVSSFILPHRPDNDESCNSSEDESKWVEELMKMHTARVRDIE
HLTGLDFYRKTSRSYSEILTLKTYLHTYE

Ligand information

Ligand ID

MAN

InChI

InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1

InChIKey

WQZGKKKJIJFFOK-PQMKYFCFSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341	OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341	OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04	OC1C(O)C(OC(O)C1O)CO

Formula

C6 H12 O6

Name

alpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose

PDB chain

3nkr Chain C Residue 6 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3nkr Crystal structure of autotaxin and insight into GPCR activation by lipid mediators
Resolution	1.704 Å
Binding residue (original residue number in PDB)	E223 S224 N436
Binding residue (residue number reindexed from 1)	E173 S174 N386
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.1.4.39: alkylglycerophosphoethanolamine phosphodiesterase.

Gene Ontology

	Molecular Function
GO:0003676	nucleic acid binding
GO:0004528	phosphodiesterase I activity
GO:0004551	dinucleotide phosphatase activity
GO:0004622	lysophospholipase activity
GO:0004630	phospholipase D activity
GO:0005044	scavenger receptor activity
GO:0005509	calcium ion binding
GO:0008270	zinc ion binding
GO:0016787	hydrolase activity
GO:0016788	hydrolase activity, acting on ester bonds
GO:0030247	polysaccharide binding
GO:0046872	metal ion binding
GO:0047391	alkylglycerophosphoethanolamine phosphodiesterase activity

	Biological Process
GO:0006644	phospholipid metabolic process
GO:0006935	chemotaxis
GO:0006955	immune response
GO:0009395	phospholipid catabolic process
GO:0010634	positive regulation of epithelial cell migration
GO:0016042	lipid catabolic process
GO:0016192	vesicle-mediated transport
GO:0030149	sphingolipid catabolic process
GO:0030334	regulation of cell migration
GO:0034638	phosphatidylcholine catabolic process
GO:0050731	positive regulation of peptidyl-tyrosine phosphorylation
GO:2000394	positive regulation of lamellipodium morphogenesis

	Cellular Component
GO:0005576	extracellular region
GO:0005615	extracellular space
GO:0005886	plasma membrane

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:3nkr, PDBe:3nkr, PDBj:3nkr
PDBsum	3nkr
PubMed	21240269
UniProt	Q9R1E6\|ENPP2_MOUSE Autotaxin (Gene Name=Enpp2)

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