6MVD

Crystal structure of Lecithin:cholesterol acyltransferase (LCAT) in complex with isopropyl dodec-11-enylfluorophosphonate (IDFP) and a small molecule activator

Replaces:  6DTJ

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)	Phosphatidylcholine-sterol acyltransferase	polymer	383	43690.7	2	UniProt (P04180) Pfam (PF02450)	Homo sapiens (Human)	Lecithin-cholesterol acyltransferase,Phospholipid-cholesterol acyltransferase
2	C, D, E, M, N (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG)
3	F, O (A, B)	propan-2-yl hydrogen (R)-ethylphosphonate	non-polymer		152.1	2	Chemie (H9A)
4	G, P (A, B)	6-{4-[(4R)-4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl}-4-(trifluoromethyl)pyridine-3-carbonitrile	non-polymer		474.4	2	Chemie (H94)
5	H, I, J, K, Q... (A, B)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
6	L (A)	NICKEL (II) ION	non-polymer		58.7	1	Chemie (NI)
7	S, T (A, B)	water	water		18.0	20	Chemie (HOH)

Sequence modifications

A, B: 21 - 397 (UniProt: P04180)

PDB	External Database	Details
His 398	-	expression tag
His 399	-	expression tag
His 400	-	expression tag
His 401	-	expression tag
His 402	-	expression tag
His 403	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	87381.5
Non-Polymers*	Number of molecules	16
	Total formula weight	2994.1
All*	Total formula weight	90375.5

*Water molecules are not included.