Structure of PDB 4gnc Chain B Binding Site BS03

Receptor Information
>4gnc Chain B (length=297) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIKIECVLPENCRCGESPVWEEVSNSLLFVDIPAKKVCRWDSFTKQVQRV
TMDAPVSSVALRQSGGYVATIGTKFCALNWKEQSAVVLATVDNDKKNNRF
NDGKVDPAGRYFAGTMAEETAPAVLERHQGALYSLFPDHHVKKYFDQVDI
SNGLDWSLDHKIFYYIDSLSYSVDAFDYDLQTGQISNRRSVYKLEKEEQI
PDGMCIDAEGKLWVACYNGGRVIRLDPVTGKRLQTVKLPVDKTTSCCFGG
KNYSEMYVTCARDGMDPEGLLRQPEAGGIFKITGLGVKGIAPYSYAG
Ligand information
Ligand IDASO
InChIInChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
InChIKeyMPCAJMNYNOGXPB-SLPGGIOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.341OC[CH]1OC[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)CO)O)O)O
ACDLabs 10.04OC1C(OCC(O)C1O)CO
FormulaC6 H12 O5
Name1,5-anhydro-D-glucitol;
1,5-ANHYDROSORBITOL
ChEMBLCHEMBL344637
DrugBank
ZINCZINC000004097377
PDB chain4gnc Chain B Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4gnc Structural basis of the gamma-lactone-ring formation in ascorbic acid biosynthesis by the senescence marker protein-30/gluconolactonase
Resolution1.749 Å
Binding residue
(original residue number in PDB)
E24 G252 K253 N254
Binding residue
(residue number reindexed from 1)
E22 G250 K251 N252
Annotation score1
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:4gnc, PDBe:4gnc, PDBj:4gnc
PDBsum4gnc
PubMed23349732
UniProtQ15493|RGN_HUMAN Regucalcin (Gene Name=RGN)

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