Structure of PDB 1njr Chain A Binding Site BS01

Receptor Information
>1njr 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 IDXYL
InChIInChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+
InChIKeyHEBKCHPVOIAQTA-SCDXWVJYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H](C([C@@H](CO)O)O)O)O
OpenEye OEToolkits 1.5.0C(C(C(C(CO)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)CO
CACTVS 3.341OC[C@H](O)[C@@H](O)[C@H](O)CO
ACDLabs 10.04OC(CO)C(O)C(O)CO
FormulaC5 H12 O5
NameXylitol;
D-Xylitol
ChEMBLCHEMBL96783
DrugBankDB11195
ZINCZINC000100018612
PDB chain1njr Chain A Residue 285 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1njr Structure and mechanism of ADP-ribose-1''-monophosphatase (Appr-1''-pase), a ubiquitous cellular processing enzyme
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D23 F89
Binding residue
(residue number reindexed from 1)		D8 F63
Annotation score1
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:1njr, PDBe:1njr, PDBj:1njr
PDBsum1njr
PubMed15722447
UniProtQ04299|YMX7_YEAST Probable ADP-ribose 1''-phosphate phosphatase YML087W (Gene Name=YMR087W)

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