6ME6

XFEL crystal structure of human melatonin receptor MT2 in complex with 2-phenylmelatonin

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)	Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin	polymer	460	51514.6	2	UniProt (P0ABE7) UniProt (P49286) UniProt (P00268) Pfam (PF07361) Pfam (PF00001) Pfam (PF00301)	Escherichia coli	Cytochrome b-562,Mel1b receptor,Rd,Mel1b receptor
2	C, E (A, B)	N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide	non-polymer		308.4	2	Chemie (JEY)
3	D (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
4	F (B)	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	1	Chemie (OLC)

Sequence modifications

A, B: 2001 - 2106 (UniProt: P0ABE7)

PDB	External Database	Details
Trp 2007	Met 29	engineered mutation
Ile 2102	His 124	engineered mutation
Leu 2106	Arg 128	engineered mutation
Gly 31	-	linker
Asp 32	-	linker
Gly 33	-	linker
Ala 34	-	linker

A, B: 35 - 231 (UniProt: P49286)

PDB	External Database	Details
Ser 37	Pro 37	engineered mutation
Asn 86	Asp 86	engineered mutation
Phe 108	Leu 108	engineered mutation
Trp 129	Phe 129	engineered mutation
Asp 137	Asn 137	engineered mutation
Leu 140	Cys 140	engineered mutation

A, B: 1000 - 1052 (UniProt: P00268)
A, B: 241 - 340 (UniProt: P49286)

PDB	External Database	Details
Phe 264	Trp 264	engineered mutation
Pro 305	Ala 305	engineered mutation
Asp 312	Asn 312	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	103029.2
Non-Polymers*	Number of molecules	4
	Total formula weight	1038.7
All*	Total formula weight	104067.9

*Water molecules are not included.