Brand  (β version)

PDB ID: 5ZUN

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Ligands
Code Name Style Show Link
9JX (4r)-1-(2'-chloro[1,1'-biphenyl]-3-yl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one PoSSuM
CL Chloride ion PoSSuM
EDO 1,2-ethanediol PoSSuM
PG4 Tetraethylene glycol PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 5ZUN   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/INHIBITOR
Title : Crystal structure of human monoacylglycerol lipase in complex with compound 3l
Release Data : 2018-10-17
Compound :
mol_id molecule chains synonym
1 Monoglyceride lipase A MGL,HU-K5,Lysophospholipase homolog,Lysophospholipase-like,Monoacylglycerol lipase,MAGL
ec: 3.1.1.23
mutation: K36A, L169S. L176S
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: MGLL
Authors : Sogabe, S., Zama, Y., Lane, W., Snell, G.
Keywords : MONOACYLGLYCEROL LIPASE, HYDROLASE-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.35 Å )
Citation :

Design, Synthesis, and Evaluation of Piperazinyl Pyrrolidin-2-ones as a Novel Series of Reversible Monoacylglycerol Lipase Inhibitors

Aida, J.,Fushimi, M.,Kusumoto, T.  et al.
(2018)  J. Med. Chem.  61 : 9205 - 9217

PubMed: 30251836
DOI: 10.1021/acs.jmedchem.8b00824

Reaction

Chain : A
UniProt : Q99685 (MGLL_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
Hydrolyzes glycerol monoesters of long-chain fatty acids. 3.1.1.23 PubMed:19029917, PubMed:20079333, PubMed:21049984, PubMed:22969151, PubMed:24368842
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1-octanoylglycerol + H2O = glycerol + H(+) + octanoate - PubMed:22969151, PubMed:24368842
left-to-right
2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol + H2O = (5Z,8Z,11Z,14Z)-eicosatetraenoate + glycerol + H(+) - PubMed:19029917, PubMed:20079333, PubMed:21049984, PubMed:22969151, PubMed:24368842
left-to-right
1-decanoylglycerol + H2O = decanoate + glycerol + H(+) - PubMed:22969151, PubMed:24368842
left-to-right
1-dodecanoylglycerol + H2O = dodecanoate + glycerol + H(+) - PubMed:22969151, PubMed:24368842
left-to-right
1-tetradecanoylglycerol + H2O = glycerol + H(+) + tetradecanoate - PubMed:22969151, PubMed:24368842
left-to-right PubMed:22969151, PubMed:24368842
2-hexadecanoylglycerol + H2O = glycerol + H(+) + hexadecanoate - PubMed:22969151, PubMed:24368842
left-to-right PubMed:22969151, PubMed:24368842
1-(9Z-octadecenoyl)-glycerol + H2O = (9Z)-octadecenoate + glycerol + H(+) - PubMed:20079333, PubMed:22969151, PubMed:24368842
left-to-right PubMed:20079333, PubMed:22969151, PubMed:24368842
2-(9Z-octadecenoyl)-glycerol + H2O = (9Z)-octadecenoate + glycerol + H(+) - PubMed:22969151, PubMed:24368842
left-to-right PubMed:22969151, PubMed:24368842
2-(9Z,12Z-octadecadienoyl)-glycerol + H2O = (9Z,12Z)- octadecadienoate + glycerol + H(+) - PubMed:22969151, PubMed:24368842
left-to-right
1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol + H2O = (5Z,8Z,11Z,14Z)-eicosatetraenoate + glycerol + H(+) - PubMed:22969151, PubMed:24368842
left-to-right
1-(9Z,12Z-octadecadienoyl)-glycerol + H2O = (9Z,12Z)- octadecadienoate + glycerol + H(+) - PubMed:22969151, PubMed:24368842
left-to-right
(9Z-octadecenoyl)-glycerol + H2O = (9Z)-octadecenoate + glycerol + H(+) - UniProtKB:O35678
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1-hexadecanoylglycerol + H2O = glycerol + H(+) + hexadecanoate - PubMed:20079333
left-to-right
1-octadecanoylglycerol + H2O = glycerol + H(+) + octadecanoate - PubMed:20079333
left-to-right
H2O + prostaglandin E2 1-glyceryl ester = glycerol + H(+) + prostaglandin E2 - PubMed:21049984, PubMed:24368842
left-to-right PubMed:21049984, PubMed:24368842
H2O + prostaglandin D2-1-glycerol ester = glycerol + H(+) + prostaglandin D2 - PubMed:24368842
left-to-right
11-oxo-5Z,9,12E,14E-prostatetraenoate + H2O = 15-deoxy- Delta(12,14)-prostaglandin J2 + glycerol + H(+) - PubMed:24368842
left-to-right
H2O + prostaglandin F2alpha 1-glyceryl ester = glycerol + H(+) + prostaglandin F2alpha - PubMed:21049984
left-to-right