Structure of PDB 4gty Chain B Binding Site BS01

Receptor Information
>4gty Chain B (length=697) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISK
LKNCGTYTKNMRPMYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNAS
FSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIY
KVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSS
EVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYL
NKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHF
RPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSYCGSGFHGSDNL
FSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHGS
LNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPDDDIYHMTVPY
GRPRILLKQHRVCLLQQQQFLTGYSLDLLMPLWASYTFLSNDNCLYQDLR
IPLSPVHKCSYYKLSYGFLTPPRLNHIYSEALLTSNIVPMYQSFQVIWHY
LHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEI
LIPTHFFIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRES
SWVEELLTLHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFS
Ligand information
Ligand ID5GP
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyRQFCJASXJCIDSX-UUOKFMHZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H14 N5 O8 P
NameGUANOSINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL283807
DrugBankDB01972
ZINCZINC000002159505
PDB chain4gty Chain B Residue 1005 [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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PDB4gty Crystal structure of Enpp1, an extracellular glycoprotein involved in bone mineralization and insulin signaling.
Resolution3.19 Å
Binding residue
(original residue number in PDB)		T238 F239 N259 L272 K277 Y322 Y353 E355 D358 H406 H517
Binding residue
(residue number reindexed from 1)		T69 F70 N90 L103 K108 Y153 Y184 E186 D189 H237 H345
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.4.1: phosphodiesterase I.
3.1.4.39: alkylglycerophosphoethanolamine phosphodiesterase.
3.6.1.9: nucleotide diphosphatase.
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:4gty, PDBe:4gty, PDBj:4gty
PDBsum4gty
PubMed23027977
UniProtP06802|ENPP1_MOUSE Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Gene Name=Enpp1);
Q9R1E6|ENPP2_MOUSE Autotaxin (Gene Name=Enpp2)

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