Structure of PDB 5olu Chain A Binding Site BS01

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 401 [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)		F38 E40 H113 S114 H201 H284 E285
Binding residue
(residue number reindexed from 1)		F39 E41 H114 S115 H202 H285 E286
Annotation score1
External links