9JGK

cryo-EM structure of 5-Hydroxytryptamine 2B Receptor in complex with balovaptan

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Soluble cytochrome b562,5-hydroxytryptamine receptor 2B,Soluble cytochrome b562,5-hydroxytryptamine receptor 2B,de novo design fusion protein	polymer	568	63403.5	1	UniProt (P0ABE7) UniProt (P41595) Pfam (PF07361) Pfam (PF00001)	Escherichia coli	Cytochrome b-562,5-HT-2B,5-HT2B,Serotonin receptor 2B
2	B (A)	8-chloranyl-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine	non-polymer		409.9	1	Chemie (A1EB7)

Sequence modifications

A: -71 - 34 (UniProt: P0ABE7)

PDB	External Database	Details
Asp -77	-	expression tag
Tyr -76	-	expression tag
Lys -75	-	expression tag
Asp -74	-	expression tag
Asp -73	-	expression tag
Asp -72	-	expression tag
Trp -64	Met 29	conflict
Ile 31	His 124	conflict
Leu 35	-	linker

A: 36 - 241 (UniProt: P41595)

PDB	External Database	Details
Trp 144	Met 144	engineered mutation

A: 242 - 396 (PDB: 9JGK)
A: 397 - 484 (UniProt: P41595)

PDB	External Database	Details
His 485	-	expression tag
His 486	-	expression tag
His 487	-	expression tag
His 488	-	expression tag
His 489	-	expression tag
His 490	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	63403.5
Non-Polymers*	Number of molecules	1
	Total formula weight	409.9
All*	Total formula weight	63813.4

*Water molecules are not included.