4WV9: Soluble acetylcholine receptor

Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in complex with click chemistry compound (3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane. Determined by X-ray diffraction at 2.0 Å resolution. Released 22 Apr 2015.

Method: X-ray diffraction
Resolution: 2.0 Å
Organism: Aplysia californica
Chains: 5
Atoms: 8,998
Mol. weight: 123.42 kDa
Ligands: MD4
Released: 22 Apr 2015

Explore 4WV9 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4WV9 contains 18 α-helices and 79 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: 4 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	-1-14	16
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
α-helix	98-99	2
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: 3 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	-7-13	21
β-strand	24	1	3
β-strand	27	1	3
β-strand	29-44	16	4
β-strand	49-66	18	4
α-helix	69-72	4
β-strand	77-81	5	4
α-helix	82-84	3
β-strand	90-92	3	5
β-strand	95	1	4
β-strand	100-101	2	4
β-strand	106-110	5	4
β-strand	112-117	6	4
β-strand	120-126	7	4
β-strand	138-146	9	5
β-strand	154-157	4	4
β-strand	162	1	5
β-strand	164	1	4
β-strand	174-186	13	5
β-strand	195-206	12	5

Chain C: 3 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	1-14	14
β-strand	24	1	6
β-strand	27	1	6
β-strand	29-44	16	7
β-strand	49-66	18	7
α-helix	69-72	4
β-strand	77-81	5	7
α-helix	82-84	3
β-strand	90-92	3	8
β-strand	95	1	7
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
β-strand	164	1	7
β-strand	174-186	13	8
β-strand	195-206	12	8

Chain D: 4 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	1-14	14
β-strand	29-44	16	9
β-strand	49-66	18	9
α-helix	69-71	3
β-strand	77-81	5	9
α-helix	82-84	3
β-strand	90-92	3	10
β-strand	95	1	9
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
α-helix	163	1
β-strand	164	1	9
β-strand	175-186	12	10
β-strand	195-205	11	10

Chain E: 4 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	-3-10	14
α-helix	11-15	5
β-strand	29-44	16	11
β-strand	49-66	18	11
α-helix	69-72	4
β-strand	77-81	5	11
α-helix	82-84	3
β-strand	90-92	3	12
β-strand	95	1	11
β-strand	100-101	2	11
β-strand	106-110	5	11
β-strand	112-117	6	11
β-strand	120-126	7	11
β-strand	138-146	9	12
β-strand	154-157	4	11
β-strand	162	1	12
β-strand	164	1	11
β-strand	174-186	13	12
β-strand	195-206	12	12

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Soluble acetylcholine receptor	A, B, C, D, E	protein	216	Aplysia californica	Q8WSF8 (AlphaFold model)

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

>4WV9_1 Soluble acetylcholine receptor (chains A, B, C, D, E)
DYKDDDDKLHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKADSSTNEVD
LVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTRPVQVLSPQIAVVTH
DGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGSWVYSGFEIDLKTDTDQVDLSSYYAS
SKYEILSATQTRQVQHYSCCPEPYIDVNLVVKFRER

Ligands and cofactors

ID	Name	Formula	Copies
MD4	(3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo…	C16 H22 N5	2

Primary citation

Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in complex with click chemistry compound. Talley, T.T. To be published.

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…
3C84 1.94 Å, Crystal structure of a complex of AChBP from aplysia californica and the neonicotinoid…
2YMD 1.96 Å, Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with serotonin…

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