4IAR

Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562	polymer	401	45272.7	1	UniProt (P28222) UniProt (P0ABE7) Pfam (PF00001) Pfam (PF07361) In PDB	Homo sapiens (Human)
2	A	Ergotamine	non-polymer		581.7	1	Chemie (ERM)
3	A	(2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	1	Chemie (OLB)
4		water	water		18.0	9	Chemie (HOH)

Sequence modifications

A: 33 - 239 (UniProt: P28222)

PDB	External Database	Details
Gly 30	-	expression tag
Gly 31	-	expression tag
Thr 32	-	expression tag
Trp 138	Leu 138	engineered mutation

A: 1001 - 1106 (UniProt: P0ABE7)

PDB	External Database	Details
Trp 1007	Met 29	engineered mutation
Ile 1102	His 124	engineered mutation
Leu 1106	Arg 128	engineered mutation

A: 306 - 390 (UniProt: P28222)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	45272.7
Non-Polymers*	Number of molecules	2
	Total formula weight	938.2
All*	Total formula weight	46210.9

*Water molecules are not included.