Structure of PDB 4zxf Chain C Binding Site BS01

Receptor Information
>4zxf Chain C (length=307) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAPYPYKVQTTVPELQYENFDGAKFGYMFWPVQNGTNEVRGRVLLIHGFG
EYTKIQFRLMDHLSLNGYESFTFDQRGAGVTSPGRSKGVTDEYHVFNDLE
HFVEKNLSECKAKGIPLFMWGHSMGGGICLNYACQGKHKNEISGYIGSGP
LIILHPHTMYNKPTQIIAPLLAKFSPRVRIDTGLDLKGITSDKAYRAFLG
SDPMSVPLYGSFRQIHDFMQRGAKLYKNENNYIQKNFAKDKPVIIMHGQD
DTINDPKGSEKFIRDCPSADKELKLYPGARHSIFSLETDKVFNTVFNDMK
QWLDKHT
Ligand information
Ligand ID4S7
InChIInChI=1S/C21H44N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-28(25,26)21-18-19-23-24-22/h22H,2-21H2,1H3/p+1
InChIKeyZBOFNSYOCJATLZ-UHFFFAOYSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=N)O
CACTVS 3.385CCCCCCCCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=N
ACDLabs 12.01C(CP(O)(=O)OCCCCCCCCCCCCCCCCCC)C\N=[N+]=N
FormulaC21 H45 N3 O3 P
Name1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium;
octadecyl hydrogen (R)-(3-azidopropyl)phosphonate
ChEMBL
DrugBank
ZINCZINC000584905060
PDB chain4zxf Chain C Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zxf Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		G48 F49 S123 M124 L154 M159 Q165 I166 L184 L208 F218 H281
Binding residue
(residue number reindexed from 1)		G48 F49 S123 M124 L154 M159 Q165 I166 L184 L208 F218 H281
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.23: acylglycerol lipase.
Gene Ontology
Molecular Function
GO:0016298 lipase activity
GO:0016787 hydrolase activity
GO:0017171 serine hydrolase activity
GO:0047372 monoacylglycerol lipase activity
Biological Process
GO:0006639 acylglycerol metabolic process
GO:0006641 triglyceride metabolic process
GO:0019433 triglyceride catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005741 mitochondrial outer membrane
GO:0005783 endoplasmic reticulum
GO:0005811 lipid droplet
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0071944 cell periphery

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4zxf, PDBe:4zxf, PDBj:4zxf
PDBsum4zxf
PubMed26869448
UniProtP28321|MGLL_YEAST Monoglyceride lipase (Gene Name=YJU3)

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