Structure of PDB 1ty8 Chain A Binding Site BS01

Receptor Information
>1ty8 Chain A (length=249) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KMRIILCDTNEVVTNLWQESIPKYLCIHHGHLQSLMDSMRKGDAHSYAIV
SPGNSYGYLGGGFDKALYNYFGGKPFETWFRNQLGGRYHTVGSATVVDLQ
RCLEECRDGIRYIIHVPTVVAPSAPIFNPQNPLKTGFEPVFNAMWNALMH
SPKDIDGLIIPGLCTGYAGVPPIISCKSMAFALRLYMAGDHISKELKNVL
IMYYLQYPFEPFFPESCKIECQKLGIDIEMLKSFNVEKDAIELLIPRRI
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain1ty8 Chain A Residue 285 [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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PDB1ty8 CRYSTAL STRUCTURE OF YEAST HYPOTHETICAL PROTEIN YMX7
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D23 T24 H53 L54 P78 G88 F89 T148 G192 C194 T195 G196 Y197 A198
Binding residue
(residue number reindexed from 1)		D8 T9 H31 L32 P52 G62 F63 T118 G162 C164 T165 G166 Y167 A168
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.3.84: ADP-ribose 1''-phosphate phosphatase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
Biological Process
GO:0006388 tRNA splicing, via endonucleolytic cleavage and ligation
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ty8, PDBe:1ty8, PDBj:1ty8
PDBsum1ty8
PubMed
UniProtQ04299|YMX7_YEAST Probable ADP-ribose 1''-phosphate phosphatase YML087W (Gene Name=YMR087W)

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