Structure of PDB 5z3c Chain A Binding Site BS01

Receptor Information
>5z3c Chain A (length=371) Species: 479435 (Kribbella flavida DSM 17836) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLDSHELARLHELARHSHAVITRHQDAGGAYPAAPTFSAYRGYAWLRDGS
FTAEGISRYGDVASAGRFHDWVDGVLRRRRGQVDDLLAAVDRGEVPSNEG
MLPTRFTFDGNDGSDPWWDFQTDGYGMWLWSVVTHAARHGLDLERWRAGI
DVAVDYLLAFWDRPCYDWWAEHVEHRHVSTLGAIHGGLVAVGTCAALRSA
PWSAATLQVAARIRSLVSAEGVVDGHLVKWLGSSAVDGSLPACVVPFGLV
PPDDDVAAMTRAAVAKDLDVDGGVHRFAADVFYGGGQWILLSALLGWNLA
AAGDTAGALRHLRWIADQADADGDLPEQVPHHLLHPGSRAEWVARWGTVA
TPLLWSHGMYLILADELGLLP
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 chain5z3c Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5z3c Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		A47 W53 R113
Binding residue
(residue number reindexed from 1)		A39 W45 R105
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.205: isomaltose glucohydrolase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process
Cellular Component
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:5z3c, PDBe:5z3c, PDBj:5z3c
PDBsum5z3c
PubMed34665923
UniProtD2PPM8|IMGH_KRIFD Isomaltose glucohydrolase (Gene Name=Kfla_1896)

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