9XDR

Cryo-EM structure of asimadoline-BMS-986187-bound KOR-Gi1 complex

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)	Guanine nucleotide-binding protein G(i) subunit alpha-1	polymer	354	40414.0	1	UniProt (P63097)	Oplophorus gracilirostris	Adenylate cyclase-inhibiting G alpha protein
2	B (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	384	41729.6	1	UniProt (P62873)	Homo sapiens (human)	Transducin beta chain 1
3	C (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
4	D (R)	Soluble cytochrome b562,Kappa-type opioid receptor,Soluble cytochrome b562,Kappa-type opioid receptor,Oplophorus-luciferin 2-monooxygenase catalytic subunit	polymer	608	67793.5	1	UniProt (P0ABE7) UniProt (P41145)	Escherichia coli	Cytochrome b-562,K-OR-1,KOR-1
5	E (R)	Asimadoline	non-polymer		414.5	1	Chemie (A1E0F)
6	F (R)	3,3,6,6-tetramethyl-9-[4-[(2-methylphenyl)methoxy]phenyl]-4,5,7,9-tetrahydro-2~{H}-xanthene-1,8-dione	non-polymer		470.6	1	Chemie (A1D6B) PubChem (17379334)

Sequence modifications

A: 1 - 354 (UniProt: P63097)

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

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -17	-	initiating methionine
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
Gly 341	-	expression tag
Gly 342	-	expression tag
Ser 343	-	expression tag
Gly 344	-	expression tag
Gly 345	-	expression tag
Gly 346	-	expression tag
Gly 347	-	expression tag
Ser 348	-	expression tag
Gly 349	-	expression tag
Gly 350	-	expression tag
Ser 351	-	expression tag
Ser 352	-	expression tag
Ser 353	-	expression tag
Gly 354	-	expression tag
Gly 355	-	expression tag
Val 356	-	expression tag
Ser 357	-	expression tag
Gly 358	-	expression tag
Trp 359	-	expression tag
Arg 360	-	expression tag
Leu 361	-	expression tag
Phe 362	-	expression tag
Lys 363	-	expression tag
Lys 364	-	expression tag
Ile 365	-	expression tag
Ser 366	-	expression tag

R: -53 - 52 (UniProt: P0ABE7)

PDB	External Database	Details
Met -76	-	initiating methionine
Lys -75	-	expression tag
Thr -74	-	expression tag
Ile -73	-	expression tag
Ile -72	-	expression tag
Ala -71	-	expression tag
Leu -70	-	expression tag
Ser -69	-	expression tag
Tyr -68	-	expression tag
Ile -67	-	expression tag
Phe -66	-	expression tag
Cys -65	-	expression tag
Leu -64	-	expression tag
Val -63	-	expression tag
Phe -62	-	expression tag
Ala -61	-	expression tag
Asp -60	-	expression tag
Tyr -59	-	expression tag
Lys -58	-	expression tag
Asp -57	-	expression tag
Asp -56	-	expression tag
Asp -55	-	expression tag
Asp -54	-	expression tag
Trp -46	Met 29	conflict
Ile 49	His 124	conflict
Leu 53	-	linker

R: 54 - 358 (UniProt: P41145)
R: 359 - 531 (PDB: 9XDR)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	157798.3
Non-Polymers*	Number of molecules	2
	Total formula weight	885.1
All*	Total formula weight	158683.4

*Water molecules are not included.