9PA5

(S)-ketamine bound mu-opioid receptor in complex with Gi1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Guanine nucleotide-binding protein G(i) subunit alpha-1	polymer	354	40414.0	1	UniProt (P63096)	Homo sapiens (human)	Adenylate cyclase-inhibiting G alpha protein
2	B (R)	Mu-type opioid receptor	polymer	308	35105.9	1	UniProt (P35372)	Homo sapiens (human)	M-OR-1,MOR-1,Mu opiate receptor,Mu opioid receptor,MOP,hMOP
3	C (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	340	37342.8	1	UniProt (P62873)	Homo sapiens (human)	Transducin beta chain 1
4	D (C)	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	71	7861.1	1	UniProt (P59768)	Homo sapiens (human)	G gamma-I
5	E (E)	ScFv16 protein	polymer	251	26679.7	1		Mus musculus
6	F (R)	(2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one	non-polymer		237.7	1	Chemie (JC9) PubChem (182137)

Sequence modifications

A: 1 - 354 (UniProt: P63096)

PDB	External Database	Details
Asn 47	Ser 47	engineered mutation
Ala 203	Gly 203	engineered mutation
Ala 245	Glu 245	engineered mutation
Ser 326	Ala 326	engineered mutation

R: 54 - 361 (UniProt: P35372)

PDB	External Database	Details
Trp 158	Phe 158	conflict

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Gly 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	147403.6
Non-Polymers*	Number of molecules	1
	Total formula weight	237.7
All*	Total formula weight	147641.3

*Water molecules are not included.