6UR8

CryoEM structure of human alpha4beta2 nicotinic acetylcholine receptor in complex with varenicline

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D	Chimera of soluble cytochrome b562 (BRIL) and neuronal acetylcholine receptor subunit alpha-4	polymer	487	56027.8	2	UniProt (P43681) UniProt (P0ABE7) Pfam (PF02931) Pfam (PF02932) Pfam (PF07361) In PDB	Homo sapiens (Human)	Cytochrome b-562
2	B, C, E	Neuronal acetylcholine receptor subunit beta-2	polymer	397	45932.0	3	UniProt (P17787) Pfam (PF02931) Pfam (PF02932) In PDB	Homo sapiens (Human)
3	A, B, C, D, E	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	8	Chemie (NAG)
4	A, D	VARENICLINE	non-polymer		211.3	2	Chemie (QMR)
5	B, C, E	beta-D-mannopyranose	non-polymer		180.2	3	Chemie (BMA)

Sequence modifications

A, D: 1 - 452 (UniProt: P43681)
A, D: 457 - 557 (UniProt: P0ABE7)

PDB	External Database	Details
Trp 463	Met 29	conflict
Ile 558	-	linker
Gln 559	-	linker
Lys 560	-	linker
Tyr 561	-	linker
Leu 562	-	linker

A, D: 563 - 601 (UniProt: P43681)

PDB	External Database	Details
Asp 453	-	linker
Thr 454	-	linker
Asp 455	-	linker
Phe 456	-	linker

B, C, E: 1 - 326 (UniProt: P17787)
B, C, E: 329 - 389 (UniProt: P17787)

PDB	External Database	Details
Ser 390	-	expression tag
Ala 391	-	expression tag
Trp 392	-	expression tag
Ser 393	-	expression tag
His 394	-	expression tag
Pro 395	-	expression tag
Gln 396	-	expression tag
Phe 397	-	expression tag
Glu 398	-	expression tag
Lys 399	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	249851.6
Non-Polymers*	Number of molecules	13
	Total formula weight	2732.7
All*	Total formula weight	252584.2

*Water molecules are not included.