8P1E: Acetylcholine-binding protein

Name: PDB 8P1E: X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001613.
Published: 2024-05-08
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: choline-binding protein

X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001613. Determined by X-ray diffraction at 2.1 Å resolution. Released 8 May 2024.

Method: X-ray diffraction
Resolution: 2.1 Å
Organism: Lymnaea stagnalis
Chains: 10
Atoms: 16,973
Mol. weight: 272.57 kDa
Ligands: NAG, WD2
Released: 8 May 2024

Explore 8P1E in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8P1E contains 42 α-helices and 150 β-strands across 10 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.

Chains A, C, F and H: 4 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	22-32	11
β-strand	41	1	1
β-strand	44	1	1
α-helix	45	1
β-strand	46-61	16	2
β-strand	66-78	13	2
α-helix	80-82	3
β-strand	92-96	5	2
α-helix	97-99	3
β-strand	105-107	3	3
β-strand	110	1	2
β-strand	115-116	2	2
β-strand	121-125	5	2
β-strand	129-132	4	2
β-strand	135-141	7	2
β-strand	153-161	9	3
β-strand	169-172	4	2
β-strand	190-202	13	3
β-strand	211-222	12	3

Chains B, D, G and I: 4 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	22-32	11
β-strand	41	1	4
β-strand	44	1	4
α-helix	45	1
β-strand	46-61	16	5
β-strand	66-78	13	5
α-helix	80-82	3
β-strand	92-96	5	5
α-helix	97-99	3
β-strand	105-107	3	6
β-strand	110	1	5
β-strand	115-116	2	5
β-strand	121-125	5	5
β-strand	129-132	4	5
β-strand	135-141	7	5
β-strand	153-161	9	6
β-strand	169-172	4	5
β-strand	190-203	14	6
β-strand	210-222	13	6

Chain E: 5 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	22-32	11
β-strand	41	1	13
β-strand	44	1	13
α-helix	45	1
β-strand	46-61	16	14
β-strand	66-78	13	14
α-helix	80-82	3
β-strand	92-96	5	14
α-helix	97-99	3
β-strand	105-107	3	15
β-strand	110	1	14
β-strand	115-116	2	14
β-strand	121-125	5	14
β-strand	129-132	4	14
β-strand	135-141	7	14
β-strand	153-161	9	15
β-strand	169-172	4	14
α-helix	179-182	4
β-strand	190-203	14	15
β-strand	210-222	13	15

Chain J: 5 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	22-32	11
β-strand	41	1	28
β-strand	44	1	28
α-helix	45	1
β-strand	46-61	16	29
β-strand	66-78	13	29
α-helix	80-82	3
β-strand	92-96	5	29
α-helix	97-99	3
β-strand	105-107	3	30
β-strand	110	1	29
β-strand	115-116	2	29
β-strand	121-125	5	29
β-strand	129-132	4	29
β-strand	135-141	7	29
β-strand	153-161	9	30
β-strand	169-173	5	29
α-helix	179-182	4
β-strand	190-203	14	30
β-strand	210-222	13	30

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Acetylcholine-binding protein	A, B, C, D, E, F, G, H, I, J	protein	237	Lymnaea stagnalis	P58154 (AlphaFold model)

Sequence of entity 1 (A, B, C, D, E, F, G, H, I, J), FASTA

>8P1E_1 Acetylcholine-binding protein (chains A, B, C, D, E, F, G, H, I, J)
MRRNIFCLACLWIVQACLSLDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEV
NEITNEVDVVFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTPQ
LARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSREISVDPTTENSDD
SEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSLNFRKKGRSEILGSHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
NAG	2-acetamido-2-deoxy-beta-D-glucopyranose	C8 H15 N O6	3
WD2	1-[4-(trifluoromethyl)pyridin-2-yl]piperazine	C10 H12 F3 N3	2

Water and common crystallization additives (GOL, SO4) are not listed.

Primary citation

Detection and characterisation of ligand-induced conformational changes in acetylcholine binding proteins using biosensors and X-ray crystallography. FitzGerald, E.A., Cederfelt, D., Kovryzhenko, D. et al. RSC Chem Biol (2025) 6:1625-1639. DOI 10.1039/d5cb00041f · PubMed

Other PDB entries of the same protein (UniProt P58154 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7NDV 1.7 Å, X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001888.
4ZK1 1.75 Å, Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein (LsAChBP) in…
4ZJT 1.85 Å, X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (LsAChBP) in…
4ZRU 1.9 Å, X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (Ls-AChBP) in…
8P11 1.9 Å, X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL003044.
7NDP 2.0 Å, X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001856.
7PD6 2.0 Å, Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP)…
7PE6 2.01 Å, Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP)…
5J5G 2.04 Å, X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with…
5J5F 2.04 Å, X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with…
3WTN 2.09 Å, Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with…
4QAC 2.1 Å, X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH…

Browse structure collections

About this viewer

MolViewer shows 8P1E directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.