Structure of PDB 5gw8 Chain B Binding Site BS01

Receptor Information
>5gw8 Chain B (length=286) Species: 425265 (Malassezia globosa CBS 7966) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GALIEHHAASSTDQPVDVPYNLDMFSQAAVLAQETYCGEQAHDYGLKLGD
ATLLWTAGDGNVRQRVNLYQSDSLGIAVAIQGTNTSSLRSDLHDAQLRPV
DPDSRYRRFLPQGTKVMNGFQKGYTDLVDDIFDHVKKFKQEKNESRVTVI
GHSLGAAIGLLASLDINLRLEDGLFKSYLFGLPRVGNPIFANFVDRKIGD
KLHWVVNGRDWVPTVPPRALGYQHPSNYVWIYPANSTNWKLYPGQENVHG
MLTVAREFNFDDHEGIYFHTQIGASLGKCPAVLGGY
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 chain5gw8 Chain B Residue 404 [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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PDB5gw8 Malassezia globosa MgMDL2 lipase: Crystal structure and rational modification of substrate specificity.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G76 R81
Binding residue
(residue number reindexed from 1)		G58 R63
Annotation score5
Enzymatic activity
Enzyme Commision number 3.1.1.-
Gene Ontology
Biological Process
GO:0006629 lipid metabolic process

View graph for
Biological Process
External links
PDB RCSB:5gw8, PDBe:5gw8, PDBj:5gw8
PDBsum5gw8
PubMed28433636
UniProtA8PUY5|MDL2_MALGO Secreted mono- and diacylglycerol lipase MDL2 (Gene Name=MDL2)

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