3C84: Soluble acetylcholine receptor

Crystal structure of a complex of AChBP from aplysia californica and the neonicotinoid thiacloprid. Determined by X-ray diffraction at 1.94 Å resolution. Released 20 May 2008.

Method: X-ray diffraction
Resolution: 1.94 Å
Organism: Aplysia californica
Chains: 5
Atoms: 8,961
Mol. weight: 130.74 kDa
Ligands: MG, IPA, TH4
Released: 20 May 2008

Explore 3C84 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3C84 contains 24 α-helices and 75 β-strands across 5 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: 5 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	-1-10	12
α-helix	11-15	5
α-helix	18-20	3
β-strand	29-44	16	1
β-strand	49-66	18	1
α-helix	69-72	4
β-strand	77-81	5	1
α-helix	82-84	3
β-strand	90-92	3	2
β-strand	95	1	1
β-strand	100-101	2	1
β-strand	106-110	5	1
β-strand	112-117	6	1
β-strand	120-126	7	1
β-strand	138-146	9	2
β-strand	154-157	4	1
β-strand	162	1	2
β-strand	164	1	1
β-strand	174-186	13	2
β-strand	195-206	12	2

Chain B: 5 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	-2-10	13
α-helix	11-15	5
β-strand	29-44	16	3
β-strand	49-66	18	3
α-helix	69-72	4
β-strand	77-81	5	3
α-helix	82-84	3
β-strand	90-92	3	4
β-strand	95	1	3
α-helix	98-99	2
β-strand	100-101	2	3
β-strand	106-110	5	3
β-strand	112-117	6	3
β-strand	120-126	7	3
β-strand	138-146	9	4
β-strand	154-157	4	3
β-strand	162	1	4
β-strand	164	1	3
β-strand	174-186	13	4
β-strand	195-206	12	4

Chain C: 5 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	-1-14	16
β-strand	29-44	16	5
β-strand	49-61	13	5
α-helix	63-65	3
α-helix	69-72	4
β-strand	77-81	5	5
α-helix	82-84	3
β-strand	90-92	3	6
β-strand	95	1	5
α-helix	98-99	2
β-strand	100-101	2	5
β-strand	106-110	5	5
β-strand	114-117	4	5
β-strand	120-126	7	5
β-strand	138-146	9	6
β-strand	154-157	4	5
β-strand	162	1	6
β-strand	164	1	5
β-strand	174-186	13	6
β-strand	195-206	12	6

Chain D: 5 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	0-14	15
β-strand	29-44	16	7
β-strand	49-66	18	7
α-helix	69-71	3
β-strand	77-81	5	7
α-helix	82-84	3
β-strand	90-92	3	8
β-strand	95	1	7
α-helix	98-99	2
β-strand	100-101	2	7
β-strand	106-110	5	7
β-strand	112-117	6	7
β-strand	120-126	7	7
β-strand	138-146	9	8
β-strand	154-157	4	7
β-strand	162	1	8
α-helix	163	1
β-strand	164	1	7
β-strand	174-186	13	8
β-strand	195-206	12	8

Chain E: 4 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	-1-13	15
β-strand	29-44	16	9
β-strand	49-66	18	9
α-helix	69-72	4
β-strand	77-81	5	9
α-helix	82-84	3
β-strand	90-92	3	10
β-strand	95	1	9
α-helix	98-99	2
β-strand	100-101	2	9
β-strand	106-110	5	9
β-strand	112-117	6	9
β-strand	120-126	7	9
β-strand	138-146	9	10
β-strand	154-157	4	9
β-strand	162	1	10
β-strand	164	1	9
β-strand	174-186	13	10
β-strand	195-206	12	10

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Soluble acetylcholine receptor	A, B, C, D, E	protein	227	Aplysia californica	Q8WSF8 (AlphaFold model)

Sequence of entity 1 (A, B, C, D, E), FASTA

>3C84_1 Soluble acetylcholine receptor (chains A, B, C, D, E)
YKDDDDKLHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKADSSTNEVDL
VYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTRPVQVLSPQIAVVTHD
GSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGSWVYSGFEIDLKTDTDQVDLSSYYASS
KYEILSATQTRQVQHYSCCPEPYIDVNLVVKFRERRAGNGFFRNLFD

Ligands and cofactors

ID	Name	Formula	Copies
MG	Magnesium ion	Mg	2
IPA	Isopropyl alcohol	C3 H8 O	7
TH4	{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide	C10 H9 Cl N4 S	4

Primary citation

Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore. Talley, T.T., Harel, M., Hibbs, R.E. et al. Proc Natl Acad Sci U S A (2008) 105:7606-7611. DOI 10.1073/pnas.0802197105 · PubMed

Other PDB entries of the same protein (UniProt Q8WSF8 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6T9R 1.72 Å, Aplysia californica AChBP in complex with a cytisine derivative
2WN9 1.75 Å, Crystal structure of Aplysia ACHBP in complex with 4-0H-DMXBA
2PGZ 1.76 Å, Crystal structure of Cocaine bound to an ACh-Binding Protein
2WNJ 1.8 Å, Crystal structure of aplysia achbp in complex with dmxba
8QTL 1.85 Å, Aplysia californica acetylcholine-binding protein in complex with Spiroimine (-)-4 S
2Y7Y 1.9 Å, Aplysia californica achbp in apo state
4XHE 1.9 Å, Crystal Structure of A-AChBP in complex with pinnatoxin A
4ZK4 1.9 Å, Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica…
2XYS 1.91 Å, Crystal structure of Aplysia californica AChBP in complex with strychnine
5TVC 1.93 Å, Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica…
2YMD 1.96 Å, Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with serotonin…
4WV9 2.0 Å, Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in…

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