Structure of PDB 4zrd Chain A Binding Site BS01

Receptor Information
>4zrd Chain A (length=278) Species: 425265 (Malassezia globosa CBS 7966) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RGGSSTDQPVANPYNTKEISLAAGLVQQTYCDSTENGLKIGDSELLYTMG
EGYARQRVNIYHSPSLGIAVAIEGTNLFSLNSDLHDAKFWQEDPNERYIQ
YYPKGTKLMHGFQQAYNDLMDDIFTAVKKYKKEKNEKRVTVIGHSLGAAM
GLLCAMDIELRMDGGLYKTYLFGLPRLGNPTFASFVDQKIGDKFHSIING
RDWVPTVPPRALGYQHPSDYVWIYPGNSTSAKLYPGQENVHGILTVAREF
NNDDHQGIYFHTQIGAVMGECPAQVGAH
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 chain4zrd Chain A Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zrd Structure of product-bound SMG1 lipase: active site gating implications.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S105 S171 N278
Binding residue
(residue number reindexed from 1)		S79 S145 N252
Annotation score5
Enzymatic activity
Enzyme Commision number 3.1.1.-
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006629 lipid metabolic process
GO:0016042 lipid catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4zrd, PDBe:4zrd, PDBj:4zrd
PDBsum4zrd
PubMed26365206
UniProtA8PUY1|LIP1_MALGO Secreted mono- and diacylglycerol lipase LIP1 (Gene Name=LIP1)

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