Structure of PDB 7q4h Chain B Binding Site BS01

Receptor Information
>7q4h 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 chain7q4h Chain B Residue 302 [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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PDB7q4h A thermostable lipase from Thermoanaerobacter thermohydrosulfuricus in complex with PMSF
Resolution2.00003 Å
Binding residue
(original residue number in PDB)		G36 G39 E43 X113 H233
Binding residue
(residue number reindexed from 1)		G36 G39 E43 X113 H233
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:7q4h, PDBe:7q4h, PDBj:7q4h
PDBsum7q4h
PubMed38012138
UniProtA0A1G7VV58

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