Brand  (β version)

PDB ID: 6AX1

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Ligands
Code Name Style Show Link
C0S 1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate PoSSuM
GOL Glycerol PoSSuM
Non-standard Residues
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Structure summary

Code : 6AX1   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE Inhibitor
Title : Structure of human monoacylglycerol lipase bound to a covalent inhibitor
Release Data : 2017-12-27
Compound :
mol_id molecule chains synonym
1 Monoglyceride lipase A,B MGL,HU-K5,Lysophospholipase homolog,Lysophospholipase-like,Monoacylglycerol lipase,MAGL
ec: 3.1.1.23
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: MGLL
expression_system_strain: Rosetta
Authors : Pandit, J.
Keywords : Monoacylglycerol lipase, covalent inhibitor, SBDD, HYDROLASE, HYDROLASE-HYDROLASE Inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.2600 Å )
Citation :

Azetidine and Piperidine Carbamates as Efficient, Covalent Inhibitors of Monoacylglycerol Lipase.

Butler, C.R.,Beck, E.M.,Harris, A.  et al.
(2017)  J. Med. Chem.  60 : 9860 - 9873

PubMed: 29148769
DOI: 10.1021/acs.jmedchem.7b01531

Reaction

Chain : A, B
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