9G4M

Crystal structure of monoacylglycerol lipase with BODIPY labeled probe

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)	3-[2,2-bis(fluoranyl)-10,12-dimethyl-1$l^{4},3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-4-yl]-~{N}-[2-[2-[[2-[(6-oxidanylidene-7-oxa-2,5-diazaspiro[3.4]octan-2-yl)carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]phenoxy]ethyl]propanamide	non-polymer		674.5	1	Chemie (A1IIH)
3	C, D, E, F, G... (A)	1,2-ETHANEDIOL	non-polymer		62.1	8	Chemie (EDO)
4	K (A)	water	water		18.0	210	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	9
	Total formula weight	1171.1
All*	Total formula weight	36636.6

*Water molecules are not included.