Structure of PDB 6aix Chain A Binding Site BS01

Receptor Information
>6aix Chain A (length=358) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSLRTQPSLYSGPFPFYRRPSELGCFSLDAQRQYHGDARALRYYSPPPIN
GPGPDFDLRDGYPDRYQPRDEEVQERLDHLLRWVLEHRNQLEGGPGWLAG
ATVTWRGHLTKLLTTPYERQEGWQLAASRFQGTLYLSEVETPAARAQRLA
RPPLLRELMYMGYKFEQYMCADKPGGSPDPSGEVNTNVAYCSVLRSRLGN
HPLLFSGEVDCLNPQAPCTQPPSCYVELKTSKEMHSPGQWRSFYRHKLLK
WWAQSFLPGVPHVVAGFRNPEGFVCSLKTFPTMEMFENVRNDREGWNPSV
CMNFCAAFLSFAQSTVVQDDPRLVHLFSWEPGGPVTVSVHRDAPYAFLPS
WYVETMTQ
Ligand information
Ligand IDA3P
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
InChIKeyWHTCPDAXWFLDIH-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H]3O
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
FormulaC10 H15 N5 O10 P2
NameADENOSINE-3'-5'-DIPHOSPHATE
ChEMBLCHEMBL574817
DrugBankDB01812
ZINCZINC000004228234
PDB chain6aix Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6aix Molecular mechanism for the inhibition of DXO by adenosine 3',5'-bisphosphate.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		M185 G188 Y189 D236 E253 K255 T256
Binding residue
(residue number reindexed from 1)		M159 G162 Y163 D210 E227 K229 T230
Annotation score2
Binding affinityMOAD: Kd<30mM
Enzymatic activity
Enzyme Commision number 3.1.13.-
3.6.1.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0000287 magnesium ion binding
GO:0003723 RNA binding
GO:0003729 mRNA binding
GO:0004527 exonuclease activity
GO:0008409 5'-3' exonuclease activity
GO:0034353 mRNA 5'-diphosphatase activity
GO:0046872 metal ion binding
GO:0110152 RNA NAD+-cap (NAD+-forming) hydrolase activity
Biological Process
GO:0006402 mRNA catabolic process
GO:0050779 RNA destabilization
GO:0071028 nuclear mRNA surveillance
GO:0090304 nucleic acid metabolic process
GO:0110155 NAD-cap decapping
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6aix, PDBe:6aix, PDBj:6aix
PDBsum6aix
PubMed30180947
UniProtO70348|DXO_MOUSE Decapping and exoribonuclease protein (Gene Name=Dxo)

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