9XDR: Asimadoline-BMS-986187-bound KOR-Gi1 complex

Cryo-EM structure of asimadoline-BMS-986187-bound KOR-Gi1 complex. Determined by electron microscopy at 2.58 Å resolution. Released 8 Jul 2026.

Method: Electron microscopy
Resolution: 2.58 Å
Organisms: Oplophorus gracilirostris, Homo sapiens, Escherichia coli
Chains: 4
Atoms: 7,165
Mol. weight: 158.68 kDa
Ligands: A1E0F, A1D6B
Released: 8 Jul 2026

Explore 9XDR in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9XDR contains 28 α-helices and 38 β-strands across 4 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 8 helices, 8 β-strands

Element	Residues	Length	Sheet
α-helix	10-30	21
β-strand	34-39	6	1
α-helix	46-54	9
β-strand	185-191	7	1
β-strand	194-200	7	1
α-helix	208-210	3
α-helix	212-215	4
β-strand	220-226	7	1
β-strand	233	1	2
β-strand	241	1	2
α-helix	242-254	13
β-strand	263-269	7	1
α-helix	271-280	10
α-helix	296-308	13
β-strand	319-323	5	1
α-helix	331-350	20

Chain B: 5 helices, 28 β-strands

Element	Residues	Length	Sheet
α-helix	8-25	18
α-helix	30-33	4
α-helix	34-36	3
α-helix	38-39	2
β-strand	49-51	3	3
β-strand	58-63	6	4
β-strand	69-74	6	4
β-strand	78-83	6	4
β-strand	89-94	6	4
β-strand	100-105	6	5
β-strand	111-116	6	5
β-strand	121-125	5	5
β-strand	134-139	6	5
β-strand	146-151	6	6
β-strand	156-161	6	6
β-strand	166-170	5	6
β-strand	176-180	5	6
β-strand	187-192	6	7
β-strand	198-203	6	7
β-strand	208-212	5	7
β-strand	218-221	4	7
β-strand	229-234	6	8
β-strand	240-245	6	8
β-strand	250-254	5	8
β-strand	260-264	5	8
α-helix	272	1
β-strand	273-278	6	9
β-strand	284-289	6	9
β-strand	294-298	5	9
β-strand	304-308	5	9
β-strand	315-320	6	3
β-strand	327-331	5	3
β-strand	336-338	3	3

Chain C: 2 helices, 0 β-strands

Element	Residues	Length	Sheet
α-helix	10-23	14
α-helix	30-44	15

Chain R: 13 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	58-86	29
α-helix	93-109	17
α-helix	112-121	10
α-helix	128-161	34
α-helix	163-169	7
α-helix	172-196	25
β-strand	199-202	4	10
β-strand	207-210	4	10
α-helix	221-231	11
α-helix	232-236	5
α-helix	237-253	17
α-helix	257-259	3
α-helix	266-298	33
α-helix	306-330	25
α-helix	335-339	5

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Guanine nucleotide-binding protein G(i) subunit alpha-1	A	protein	354	Oplophorus gracilirostris	P63097 (AlphaFold model)
Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	B	protein	384	Homo sapiens	P62873 (AlphaFold model)
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	C	protein	71	Homo sapiens	P59768 (AlphaFold model)
Soluble cytochrome b562,Kappa-type opioid receptor,Soluble cytochrome b562,Kappa-type opioid…	R	protein	608	Escherichia coli, Homo sapiens, synthetic construct	P41145 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>9XDR_1 Guanine nucleotide-binding protein G(i) subunit alpha-1 (chains A)
MGCTLSAEDKAAVERSKMIDRNLREDGEKAAREVKLLLLGAGESGKNTIVKQMKIIHEAG
YSEEECKQYKAVVYSNTIQSIIAIIRAMGRLKIDFGDSARADDARQLFVLAGAAEEGFMT
AELAGVIKRLWKDSGVQACFNRSREYQLNDSAAYYLNDLDRIAQPNYIPTQQDVLRTRVK
TTGIVETHFTFKDLHFKMFDVGAQRSERKKWIHCFEGVTAIIFCVALSDYDLVLAEDEEM
NRMHASMKLFDSICNNKWFTDTSIILFLNKKDLFEEKIKKSPLTICYPEYAGSNTYEEAA
AYIQCQFEDLNKRKDTKEIYTHFTCSTDTKNVQFVFDAVTDVIIKNNLKDCGLF

Sequence of entity 2 (B), FASTA

>9XDR_2 Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 (chains B)
MHHHHHHLEVLFQGPGSSGSELDQLRQEAEQLKNQIRDARKACADATLSQITNNIDPVGR
IQMRTRRTLRGHLAKIYAMHWGTDSRLLVSASQDGKLIIWDSYTTNKVHAIPLRSSWVMT
CAYAPSGNYVACGGLDNICSIYNLKTREGNVRVSRELAGHTGYLSCCRFLDDNQIVTSSG
DTTCALWDIETGQQTTTFTGHTGDVMSLSLAPDTRLFVSGACDASAKLWDVREGMCRQTF
TGHESDINAICFFPNGNAFATGSDDATCRLFDLRADQELMTYSHDNIICGITSVSFSKSG
RLLLAGYDDFNCNVWDALKADRAGVLAGHDNRVSCLGVTDDGMAVATGSWDSFLKIWNGG
SGGGGSGGSSSGGVSGWRLFKKIS

Sequence of entity 3 (C), FASTA

>9XDR_3 Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 (chains C)
MASNNTASIAQARKLVEQLKMEANIDRIKVSKAAADLMAYCEAHAKEDPLLTPVPASENP
FREKKFFCAIL

Sequence of entity 4 (R), FASTA

>9XDR_4 Soluble cytochrome b562,Kappa-type opioid receptor,Soluble cytochrome b562,Kappa-type opioid receptor,Oplophorus-luciferin 2-monooxygenase catalytic subunit (chains R)
MKTIIALSYIFCLVFADYKDDDDAADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAA
ALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKT
TRNAYIQKYLISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLAL
ADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHP
VKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWD
LFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVF
VVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRD
FCFPLKMRMERQSTSGGSGGGGSGGSSSGGVFTLEDFVGDWEQTAAYNLDQVLEQGGVSS
LLQNLAVSVTPIQRIVRSGENALKIDIHVIIPYEGLSADQMAQIEEVFKVVYPVDDHHFK
VILPYGTLVIDGVTPNMLNYFGRPYEGIAVFDGKKITVTGTLWNGNKIIDERLITPDGSM
LFRVTINS

Ligands and cofactors

ID	Name	Formula	Copies
A1E0F	Asimadoline	C27 H30 N2 O2	1
A1D6B	3,3,6,6-tetramethyl-9-[4-[(2-methylphenyl)methoxy]phenyl]-4,5,7,9-tetrahydro-2~…	C31 H34 O4	1

Primary citation

Molecular mechanism of allosteric modulation of opioid receptors. Wang, H., Miao, Z., Zhao, C. et al. Signal Transduct Target Ther (2026) 11. DOI 10.1038/s41392-026-02759-5 · PubMed

Other PDB entries of the same protein (UniProt P63097 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9J5V 2.86 Å, Human Lysophosphatidic Acid Receptor 1-Gi complex bound to CpY
6NBF 3.0 Å, Cryo-EM structure of parathyroid hormone receptor type 1 in complex with a long-acting…
7D68 3.0 Å, Cryo-EM structure of the human glucagon-like peptide-2 receptor-Gs protein complex
9XHH 3.0 Å, Structure of the CCL19-CCR7-Gi-scFv16 complex
9XC6 3.04 Å, Cryo-EM structure of BMS-986187-bound MOR-Gi1 complex
8X17 3.19 Å, Cryo-EM structure of adenosine receptor A3AR bound to CF102
9XHI 3.2 Å, Structure of the CCL21-CCR7-Gi-scFv16 complex
9M54 3.24 Å, Cryo-EM structure of neuropeptide FF receptor 2 complex with NPVF
8X16 3.29 Å, Cryo-EM structure of adenosine receptor A3AR bound to CF101
7EQ1 3.3 Å, GPR114-Gs-scFv16 complex
6NBH 3.5 Å, Cryo-EM structure of parathyroid hormone receptor type 1 in complex with a long-acting…
6NBI 4.0 Å, Cryo-EM structure of parathyroid hormone receptor type 1 in complex with a long-acting…

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