9F8C

Crystal structure of human monoacylglycerol lipase in complex with compound 7m

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Monoglyceride lipase	polymer	323	35465.5	1	UniProt (Q99685) Pfam (PF12146)	Homo sapiens (human)	MGL,HU-K5,Lysophospholipase homolog,Lysophospholipase-like,Monoacylglycerol lipase,MAGL
2	B (A)	(4~{a}~{R},8~{a}~{R})-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]carbonyl-4,4~{a},5,7,8,8~{a}-hexahydropyrido[4,3-b][1,4]oxazin-3-one	non-polymer		425.4	1	Chemie (A1IA2)
3	C, D (A)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
4	E, F (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	G (A)	water	water		18.0	360	Chemie (HOH)

Sequence modifications

A: 1 - 303 (UniProt: Q99685)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Ala 36	Lys 36	engineered mutation
Ser 169	Leu 169	engineered mutation
Ser 176	Leu 176	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	35465.5
Non-Polymers*	Number of molecules	5
	Total formula weight	595.6
All*	Total formula weight	36061.1

*Water molecules are not included.