7L4U

Crystal structure of human monoacylglycerol lipase in complex with compound 1h

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Monoglyceride lipase	polymer	320	35234.3	2	UniProt (A0A0C4DFN3) Pfam (PF12146) UniProt (by SIFTS) (Q99685)	Homo sapiens (Human)
2	C, E (A, B)	(5S)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one	non-polymer		382.9	2	Chemie (XP7)
3	D (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	F, G (A, B)	water	water		18.0	159	Chemie (HOH)

Sequence modifications

A, B: 0 - 303 (UniProt: A0A0C4DFN3)

PDB	External Database	Details
Met -16	-	initiating methionine
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Gly -9	-	expression tag
Ser -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Ala 36	Lys 46	conflict
Ser 169	Leu 179	conflict
Ser 176	Leu 186	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	70468.6
Non-Polymers*	Number of molecules	3
	Total formula weight	801.2
All*	Total formula weight	71269.8

*Water molecules are not included.