Structure of PDB 6qe2 Chain A Binding Site BS01

Receptor Information
>6qe2 Chain A (length=257) Species: 83868 (Palaeococcus ferrophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MELYRAKFGTPERGWVVLVHGLGEHSGRYGKLIELLNGAGFGVYAFDWPG
HGKSPGKRGHTSVEEAMKIIDSIIEELGEKPFLFGHSLGGLTVIRYAETR
PDKIMGVVASSPALAKSPKTPSFMVALAKVLGRITPGLSLSNGLDPKLLS
RNPDAVKRYIEDPLVHDRISGKLGMSVFDNMERAHKEAERIKAPVLLLVG
TADIITPPEGSRRLFEELKVKDKTIMEFKGAYHEIFEDPEWGEEFHRAIV
EWLVSHS
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 chain6qe2 Chain A 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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PDB6qe2 Structure and Dynamics of an Archeal Monoglyceride Lipase from Palaeococcus ferrophilus as Revealed by Crystallography and In Silico Analysis.
Resolution1.7461 Å
Binding residue
(original residue number in PDB)		L22 E24 H86 S87 L149 Y159 H233 E234
Binding residue
(residue number reindexed from 1)		L22 E24 H86 S87 L149 Y159 H233 E234
Annotation score1
External links