Structure of PDB 4gtw Chain B Binding Site BS01

Receptor Information
>4gtw 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 IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain4gtw 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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PDB4gtw Crystal structure of Enpp1, an extracellular glycoprotein involved in bone mineralization and insulin signaling.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		D200 T238 F239 N259 K277 Y322 Y353 D358 H406 H517
Binding residue
(residue number reindexed from 1)		D31 T69 F70 N90 K108 Y153 Y184 D189 H237 H345
Annotation score5
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:4gtw, PDBe:4gtw, PDBj:4gtw
PDBsum4gtw
PubMed23027977
UniProtP06802|ENPP1_MOUSE Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Gene Name=Enpp1);
Q9R1E6|ENPP2_MOUSE Autotaxin (Gene Name=Enpp2)

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