9PA1

PCP bound kappa-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)	Soluble cytochrome b562,Kappa-type opioid receptor chimera	polymer	476	53793.6	1	UniProt (P0ABE7) UniProt (P41145)	Escherichia coli (human)	Cytochrome b-562,K-OR-1,KOR-1
2	B (C)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	358	39418.1	1	UniProt (P62873)	Homo sapiens (human)	Transducin beta chain 1
3	C (D)	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	80	8506.8	1	UniProt (P59768)	Homo sapiens (human)	G gamma-I
4	D (E)	scFv16	polymer	305	32754.7	1		Mus musculus
5	E (B)	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
6	F (A)	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	non-polymer		243.4	1	Chemie (1PC) PubChem (6468)

Sequence modifications

A: -67 - 37 (UniProt: P0ABE7)

PDB	External Database	Details
Met -117	-	initiating methionine
Lys -116	-	expression tag
Thr -115	-	expression tag
Ile -114	-	expression tag
Ile -113	-	expression tag
Ala -112	-	expression tag
Leu -111	-	expression tag
Ser -110	-	expression tag
Tyr -109	-	expression tag
Ile -108	-	expression tag
Phe -107	-	expression tag
Cys -106	-	expression tag
Leu -105	-	expression tag
Val -104	-	expression tag
Phe -103	-	expression tag
Ala -102	-	expression tag
Asp -101	-	expression tag
Tyr -100	-	expression tag
Lys -99	-	expression tag
Asp -98	-	expression tag
Asp -97	-	expression tag
Asp -96	-	expression tag
Asp -95	-	expression tag
Ala -94	-	expression tag
Lys -93	-	expression tag
Leu -92	-	expression tag
Gln -91	-	expression tag
Thr -90	-	expression tag
Met -89	-	expression tag
His -88	-	expression tag
His -87	-	expression tag
His -86	-	expression tag
His -85	-	expression tag
His -84	-	expression tag
His -83	-	expression tag
His -82	-	expression tag
His -81	-	expression tag
His -80	-	expression tag
His -79	-	expression tag
Glu -78	-	expression tag
Asn -77	-	expression tag
Leu -76	-	expression tag
Tyr -75	-	expression tag
Phe -74	-	expression tag
Gln -73	-	expression tag
Gly -72	-	expression tag
Gly -71	-	expression tag
Thr -70	-	expression tag
Thr -69	-	expression tag
Met -68	-	expression tag
Trp -61	Met 29	conflict
Ile 34	His 124	conflict
Leu 38	-	linker
Gly 39	-	linker
Ser 40	-	linker
Leu 41	-	linker
Glu 42	-	linker
Val 43	-	linker
Leu 44	-	linker
Phe 45	-	linker
Gln 46	-	linker
Gly 47	-	linker
Pro 48	-	linker
Gly 49	-	linker
Ser 50	-	linker
Gly 51	-	linker
Ser 52	-	linker
Gly 53	-	linker

A: 54 - 358 (UniProt: P41145)

PDB	External Database	Details
Leu 135	Ile 135	conflict

C: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Leu -10	-	expression tag
Glu -9	-	expression tag
Val -8	-	expression tag
Leu -7	-	expression tag
Phe -6	-	expression tag
Gln -5	-	expression tag
Gly -4	-	expression tag
Pro -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Gly 1	-	expression tag

D: 1 - 71 (UniProt: P59768)

PDB	External Database	Details
Gly 72	-	expression tag
Ser 73	-	expression tag
Ala 74	-	expression tag
Gly 75	-	expression tag
Ser 76	-	expression tag
Ala 77	-	expression tag
Gly 78	-	expression tag
Ser 79	-	expression tag
Ala 80	-	expression tag

B: 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

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	174887.1
Non-Polymers*	Number of molecules	1
	Total formula weight	243.4
All*	Total formula weight	175130.5

*Water molecules are not included.