9I9C

CRYSTAL STRUCTURE OF HUMAN MONOACYLGLYCEROL LIPASE WITH COMPOUND 29

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, D (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
3	C (A)	[2-(4-cyclopentylpyridin-3-yl)-1,3-benzoxazol-6-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone	non-polymer		494.6	1	Chemie (A1I1C)
4	E (A)	water	water		18.0	206	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	3
	Total formula weight	618.7
All*	Total formula weight	36084.2

*Water molecules are not included.