8WKY

Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with S25

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Melanocortin receptor 4	polymer	535	60197.3	1	UniProt (P32245) Pfam (PF00001) Pfam (PF13692) UniProt (by SIFTS) (Q9V2J8)	Homo sapiens (human)	MC4-R
2	B (B)	N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide	polymer	10	1094.3	1		synthetic construct
3	C (A)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
4	D, E, F, G, H... (A)	OLEIC ACID	non-polymer		282.5	6	Chemie (OLA)
5	J, K (A, B)	water	water		18.0	11	Chemie (HOH)

Sequence modifications

A: 16 - 222 (UniProt: P32245)

PDB	External Database	Details
Met -11	-	initiating methionine
Lys -10	-	expression tag
Thr -9	-	expression tag
Ile -8	-	expression tag
Ile -7	-	expression tag
Ala -6	-	expression tag
Leu -5	-	expression tag
Ser -4	-	expression tag
Tyr -3	-	expression tag
Ile -2	-	expression tag
Phe -1	-	expression tag
Cys 0	-	expression tag
Leu 1	-	expression tag
Val 2	-	expression tag
Phe 3	-	expression tag
Ala 4	-	expression tag
Asp 5	-	expression tag
Tyr 6	-	expression tag
Lys 7	-	expression tag
Asp 8	-	expression tag
Asp 9	-	expression tag
Asp 10	-	expression tag
Asp 11	-	expression tag
Ala 12	-	expression tag
Gly 13	-	expression tag
Arg 14	-	expression tag
Ala 15	-	expression tag
Val 49	Glu 49	engineered mutation
Leu 97	Asn 97	engineered mutation
Phe 99	Ser 99	engineered mutation
Ala 131	Ser 131	engineered mutation

A: 1001 - 1196 (PDB: 8WKY)
A: 236 - 320 (UniProt: P32245)

PDB	External Database	Details
Asn 298	Asp 298	engineered mutation
Glu 2000	-	expression tag
Phe 2001	-	expression tag
Leu 2002	-	expression tag
Glu 2003	-	expression tag
Val 2004	-	expression tag
Leu 2005	-	expression tag
Phe 2006	-	expression tag
Gln 2007	-	expression tag
Gly 2008	-	expression tag
Pro 2009	-	expression tag
His 2010	-	expression tag
His 2011	-	expression tag
His 2012	-	expression tag
His 2013	-	expression tag
His 2014	-	expression tag
His 2015	-	expression tag
His 2016	-	expression tag
His 2017	-	expression tag
His 2018	-	expression tag
His 2019	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	61291.6
Non-Polymers*	Number of molecules	7
	Total formula weight	1734.8
All*	Total formula weight	63026.5

*Water molecules are not included.