7L4T

Crystal structure of human monoacylglycerol lipase in complex with compound 1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Monoglyceride lipase	polymer	320	35234.3	2	UniProt (A0A0C4DFN3) Pfam (PF12146) UniProt (by SIFTS) (Q99685) In PDB	Homo sapiens (Human)
2	A	6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2H-1,4-benzoxazin-3(4H)-one	non-polymer		418.8	1	Chemie (XPD)
3	A, B	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
4	B	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	4	Chemie (MPD)
5		water	water		18.0	308	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	7
	Total formula weight	1009.6
All*	Total formula weight	71478.2

*Water molecules are not included.