Structure of PDB 5yj7 Chain C Binding Site BS01

Receptor Information
>5yj7 Chain C (length=490) Species: 3187 (Nannochloris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVTCWKYAIPGEPGGELTAEEVFASKDTAFPEGFLWGAATAAYQIEGAAA
EDGRGPSMWDTFSKIPGKIDNGDTGDVACDHYHRYKEDVKLMKGMGLKSY
RFSVSWSRVLPEGTGAINPKGMEFYQNLTNELIANGIVPTVTLYHWDLPE
ALSKNGGWLNEDTAVAFGQYADVMFQALGDRVKLWFTLNEPWTTAIAGYG
QGGHAPGLKNMAENPYMAGHNQLLGHAAAVKVYREKYQEKQGGKIGAVLS
TEWKEPLCHTQEDKDAAERSLIWYLAWFADPIYKGDYPEEMKERVGDRMP
AFTEQQKQDLKGSADFFGINHYATNLLQGPTEKIGAENYFSDLNGWIMMD
PRWAVGDASWLSVVPWGMRRLLRWIKHRYDDPVVYVTENGLSVPNESAMT
PEAALNDKMRVDYLQGYVAEMWKAINYDKVKVAGYYHWSLLDNFEWSDGY
KVRFGLVQVDYKTQKRTLKESAKVYKDMIAKYSGDTAPPD
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5yj7 Chain C Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5yj7 Structural insight into a GH1 beta-glucosidase from the oleaginous microalga, Nannochloropsis oceanica.
Resolution1.61 Å
Binding residue
(original residue number in PDB)		D505 T506 P508 D510
Binding residue
(residue number reindexed from 1)		D485 T486 P488 D490
Annotation score4
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
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030245 cellulose catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5yj7, PDBe:5yj7, PDBj:5yj7
PDBsum5yj7
PubMed33347927
UniProtA0A452CSM4

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