Structure of PDB 5veo Chain A Binding Site BS05

Receptor Information
>5veo Chain A (length=374) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQKVLVVSFDGFRWDYLYKVPTPHFHYIMKNGVHVNQVTNVFITKAYPNH
YTLVTGLFAENHGIVANDMFDPILNKSFSLEHMDIYDSKFWEEATPIWIT
NQRAGHASGAAMWPGADVKIHDSFPTYYLPYNESVSFEDRVAKIIEWFTA
KDPINLGFLYWEEPDDTGHDVGPDSPLMGSVISDVDHKLGYLIKMLKRAK
LWNNVNLIVTSDHGMTQCSKQRVIELDRYLDKEHYTLIDHSPVAAILPKE
GKFDEVYDALAGAHPNLTVYKKEEIPERWHYKHNDRVQPIVAVADEGWYI
LQNKSDDFLLGNHGYDNALAEMHPIFLAHGPAFRKNFTKEAMNSTDLYSL
LCHLLNLTALPHNGSFWNVQDLLS
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 chain5veo Chain A Residue 524 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5veo A key tyrosine substitution restricts nucleotide hydrolysis by the ectoenzyme NPP5.
Resolution1.53 Å
Binding residue
(original residue number in PDB)		D36 A72 Y73 L106 M109 Y157 E159 Y186 E188 H339
Binding residue
(residue number reindexed from 1)		D10 A46 Y47 L80 M83 Y131 E133 Y160 E162 H313
Annotation score5
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0000210 NAD+ diphosphatase activity
GO:0004551 dinucleotide phosphatase activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0007154 cell communication
GO:0009166 nucleotide catabolic process
Cellular Component
GO:0005576 extracellular region
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5veo, PDBe:5veo, PDBj:5veo
PDBsum5veo
PubMed28898552
UniProtQ9EQG7|ENPP5_MOUSE Ectonucleotide pyrophosphatase/phosphodiesterase family member 5 (Gene Name=Enpp5)

[Back to BioLiP]