Structure of PDB 8b9s Chain B Binding Site BS01

Receptor Information
>8b9s Chain B (length=259) Species: 1516 (Thermoanaerobacter thermohydrosulfuricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQKAVEITYNGKTLRGMMHLPDDVKGKVPMVIMFHGFTGNKVESHFIFVK
MSRALEKVGIGSVRFDFYGSGESDGDFSEMTFSSELEDARQILKFVKEQP
TTDPERIGLLGLSMGGAIAGIVAREYKDEIKALVLWAPAFNMPELIMNES
VKQYGAIMEQLGFVDIGGHKLSKDFVEDISKLNIFELSKGYDKKVLIVHG
TNDEAVEYKVSDRILKEVYGDNATRVTIENADHTFKSLEWEKKAIEESVE
FFKKELLKG
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 chain8b9s Chain B Residue 301 [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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PDB8b9s NATIVE FORM, THERMOSTABLE LIPASE FROM THERMOANAEROBACTER THERMOHYDROSULFURICUS
Resolution2.42 Å
Binding residue
(original residue number in PDB)		G36 F37 E43
Binding residue
(residue number reindexed from 1)		G36 F37 E43
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0052689 carboxylic ester hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:8b9s, PDBe:8b9s, PDBj:8b9s
PDBsum8b9s
PubMed38012138
UniProtA0A1G7VV58

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