Structure of PDB 5olu Chain A Binding Site BS02

Receptor Information
>5olu Chain A (length=310) Species: 1121088 (Heyndrickxia coagulans DSM 1 = ATCC 7050) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TMAFQELSFQSFNGKDNVKAWIYTPIRKPRGIVQVVHGFGEHSRRYLHMI
LKFNEAGFVVAADDHVGHGKTAYDSGNWGDWGDKGYMTMAEDEHTLRKIV
QEQYPDLPYFMFGHSMGSMIARGYAATHGAGLSGLILCGTSGRFPNASKL
LPVLKNLIYEGKGQETDLSYLEELMGWMTERIEQPKTPNDWISSDPDIVA
DHANDPFNNFTTPPNIRSLYYFVQMMEIIVGTEWAEKVPVSIPIYNIAGD
QDPVGQYGEGVYAVSNWLVQTGHHVKTKVYPGHRHEIHNDRDIRDEVEEG
IISFINGIIV
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 chain5olu Chain A Residue 402 [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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PDB5olu A stereospecific carboxyl esterase from Bacillus coagulans hosting nonlipase activity within a lipase-like fold.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		N288 R290
Binding residue
(residue number reindexed from 1)		N289 R291
Annotation score1
External links