Structure of PDB 8j9f Chain D Binding Site BS01

Receptor Information
>8j9f Chain D (length=749) Species: 796573 (Paenibacillus relictisesami) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RDLKALISQMTLEEKASLCTGRDTWHTQPIERLGIPSVMMTDGPHGLRKQ
KAASDHLGLFDSVPSTCFPSAVGVASSWNRDLIERMGQALGKECQAENVA
VLLGPGANIKRSPLCGRNFEYFSEDPYLSSEMAAHHIMGVQSQGVGTSLK
HFAANNQEYRRMTSDSVVNERTLREIYLTSFEGAVKKARPWTVMCSYNKV
NGEYAAENERLLTGILKQEWGHEGFVVSDWGAVNDRVKSLAAGLELEMPH
EGAGTKQIIEAVESGQLAEEKLDLAVERLLTVIFRSVDQHKEGAVYDPEA
HHKLAREIAAESMVLLKNEDRILPLKREGTIAVIGELAKVPRYQGSGSSQ
IKPTRLDDIVFELAASAGEHARVTYTQGYDLKSDDINAVLTEEALQAAKE
ASVAVLFAGLPKRYESEGFDRKHMRMPDNQIALIEAVAAVQPNLVVVLCN
GAPIEMPWLPQAKAVLEAYLGGQALGGAIADLLFGDANPSGKLAETFPVQ
LSDNPSFLNFPGEGDRVEYREGLFVGYRYYDKKQLRPLFPFGHGLSYTTF
AYSNLSVDKKEILDTETLKVCVNVKNTGERAGKEIVQLYVRDVESSVIRP
LKELKGFDKVFLAPGEEKTLTFELGKRSFAYYDPSIKDWMVETGAFEILI
GRSSQDIVLAETVMVRSTVSRKIVYHRNSTVADLMLTEKGAAFAQKLRGM
IPFGETVGEEYAEMLEAFKESVPLRGLISFSAGRFTEEDLSKLLEYLNG
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain8j9f Chain D Residue 801 [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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PDB8j9f Structural insights into a bacterial beta-glucosidase that is capable of degrading sesaminol triglucoside to produce sesaminol
Resolution2.85 Å
Binding residue
(original residue number in PDB)		D46 H60 K154 D233
Binding residue
(residue number reindexed from 1)		D42 H56 K150 D229
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.21: beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008422 beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8j9f, PDBe:8j9f, PDBj:8j9f
PDBsum8j9f
PubMed37384427
UniProtD6RVX0

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