Structure of PDB 4gna Chain A Binding Site BS02

Receptor Information
>4gna Chain A (length=297) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIKVECVLRENYRCGESPVWEEASQSLLFVDIPSKIICRWDTVSNQVQRV
AVDAPVSSVALRQLGGYVATIGTKFCALNWENQSVFVLAMVDEDKKNNRF
NDGKVDPAGRYFAGTMAEETAPAVLERHQGSLYSLFPDHSVKKYFDQVDI
SNGLDWSLDHKIFYYIDSLSYTVDAFDYDLQTGQISNRRIVYKMEKDEQI
PDGMCIDAEGKLWVACYNGGRVIRLDPETGKRLQTVKLPVDKTTSCCFGG
KDYSEMYVTCARDGLNAEGLLRQPDAGNIFKITGLGVKGIAPYSYAG
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 chain4gna Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4gna Structural basis of the gamma-lactone-ring formation in ascorbic acid biosynthesis by the senescence marker protein-30/gluconolactonase
Resolution1.85 Å
Binding residue
(original residue number in PDB)		E18 R101 N103 E121 N154 D204 Y219
Binding residue
(residue number reindexed from 1)		E16 R99 N101 E119 N152 D202 Y217
Annotation score2
Enzymatic activity
Enzyme Commision number 3.1.1.17: gluconolactonase.
Gene Ontology
Molecular Function
GO:0004341 gluconolactonase activity
GO:0005509 calcium ion binding
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0030234 enzyme regulator activity
GO:0046872 metal ion binding
Biological Process
GO:0001822 kidney development
GO:0001889 liver development
GO:0006874 intracellular calcium ion homeostasis
GO:0007283 spermatogenesis
GO:0010867 positive regulation of triglyceride biosynthetic process
GO:0010907 positive regulation of glucose metabolic process
GO:0019853 L-ascorbic acid biosynthetic process
GO:0032781 positive regulation of ATP-dependent activity
GO:0043066 negative regulation of apoptotic process
GO:0045019 negative regulation of nitric oxide biosynthetic process
GO:0045723 positive regulation of fatty acid biosynthetic process
GO:0050680 negative regulation of epithelial cell proliferation
GO:0050848 regulation of calcium-mediated signaling
GO:0097421 liver regeneration
GO:1901318 negative regulation of flagellated sperm motility
GO:1902679 negative regulation of RNA biosynthetic process
GO:1903011 negative regulation of bone development
GO:1903052 positive regulation of proteolysis involved in protein catabolic process
GO:1903625 negative regulation of DNA catabolic process
GO:2000279 negative regulation of DNA biosynthetic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4gna, PDBe:4gna, PDBj:4gna
PDBsum4gna
PubMed23349732
UniProtQ64374|RGN_MOUSE Regucalcin (Gene Name=Rgn)

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