Structure of PDB 7q4h Chain A Binding Site BS02

Receptor Information
>7q4h Chain A (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 A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7q4h A thermostable lipase from Thermoanaerobacter thermohydrosulfuricus in complex with PMSF
Resolution2.00003 Å
Binding residue
(original residue number in PDB)		S44 H45 X236
Binding residue
(residue number reindexed from 1)		S44 H45 X236
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

[Back to BioLiP]