8AQF

CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND LEI-515

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)	1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one	non-polymer		531.4	1	Chemie (NUX)
3	C (A)	water	water		18.0	320	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	1
	Total formula weight	531.4
All*	Total formula weight	35997.0

*Water molecules are not included.