Structure of PDB 4gtz Chain B Binding Site BS01

Receptor Information
>4gtz 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 IDC5P
InChIInChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyIERHLVCPSMICTF-XVFCMESISA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)O
FormulaC9 H14 N3 O8 P
NameCYTIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL307679
DrugBankDB03403
ZINCZINC000003861744
PDB chain4gtz Chain B Residue 1005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4gtz Crystal structure of Enpp1, an extracellular glycoprotein involved in bone mineralization and insulin signaling.
Resolution3.191 Å
Binding residue
(original residue number in PDB)		T238 F239 N259 L272 F303 Y322 Y353 D358 H406 H517
Binding residue
(residue number reindexed from 1)		T69 F70 N90 L103 F134 Y153 Y184 D189 H237 H345
Annotation score3
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:4gtz, PDBe:4gtz, PDBj:4gtz
PDBsum4gtz
PubMed23027977
UniProtP06802|ENPP1_MOUSE Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Gene Name=Enpp1);
Q9R1E6|ENPP2_MOUSE Autotaxin (Gene Name=Enpp2)

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