3QK5

Crystal structure of fatty acid amide hydrolase with small molecule inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Fatty-acid amide hydrolase 1	polymer	587	64593.2	2	UniProt (P97612) Pfam (PF01425) In PDB	Rattus norvegicus (rat)	Anandamide amidohydrolase 1, Oleamide hydrolase 1
2	A, B	(3-{(3R)-1-[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]piperidin-3-yl}-2-methyl-1H-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile	non-polymer		464.6	2	Chemie (QK5)
3	A, B	1,2-ETHANEDIOL	non-polymer		62.1	15	Chemie (EDO)
4	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5		water	water		18.0	881	Chemie (HOH)

Sequence modifications

A, B: 32 - 579 (UniProt: P97612)

PDB	External Database	Details
Met -7	-	expression tag
Gly -6	-	expression tag
Gly -5	-	expression tag
Ser -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
His 2	-	expression tag
Gly 3	-	expression tag
Met 4	-	expression tag
Ala 5	-	expression tag
Ser 6	-	expression tag
Met 7	-	expression tag
Thr 8	-	expression tag
Gly 9	-	expression tag
Gly 10	-	expression tag
Gln 11	-	expression tag
Gln 12	-	expression tag
Met 13	-	expression tag
Gly 14	-	expression tag
Arg 15	-	expression tag
Asp 16	-	expression tag
Leu 17	-	expression tag
Tyr 18	-	expression tag
Asp 19	-	expression tag
Asp 20	-	expression tag
Asp 21	-	expression tag
Asp 22	-	expression tag
Lys 23	-	expression tag
Asp 24	-	expression tag
Arg 25	-	expression tag
Trp 26	-	expression tag
Gly 27	-	expression tag
Ser 28	-	expression tag
Glu 29	-	expression tag
Leu 30	-	expression tag
Glu 31	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	129186.4
Non-Polymers*	Number of molecules	18
	Total formula weight	1952.3
All*	Total formula weight	131138.6

*Water molecules are not included.