7PD6: Acetylcholine-binding protein

Name: PDB 7PD6: Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Sulfoxaflor
Published: 2022-02-02
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: choline-binding protein

Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Sulfoxaflor. Determined by X-ray diffraction at 2.0 Å resolution. Released 2 Feb 2022.

Method: X-ray diffraction
Resolution: 2.0 Å
Organism: Lymnaea stagnalis
Chains: 10
Atoms: 16,566
Mol. weight: 240.68 kDa
Ligands: 7II
Released: 2 Feb 2022

Explore 7PD6 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7PD6 contains 38 α-helices and 131 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 AaA and FaF: 3 helices, 13 β-strands

Element	Residues	Length	Sheet
α-helix	3-13	11
β-strand	27-42	16	1
β-strand	47-59	13	1
α-helix	61-63	3
β-strand	73-77	5	1
α-helix	78-80	3
β-strand	86-88	3	2
β-strand	91	1	1
β-strand	96-97	2	1
β-strand	102-106	5	1
β-strand	110-113	4	1
β-strand	116-122	7	1
β-strand	134-142	9	2
β-strand	150-153	4	1
β-strand	171-183	13	2
β-strand	192-203	12	2

Chain BaB: 4 helices, 14 β-strands

Element	Residues	Length	Sheet
α-helix	3-13	11
α-helix	25-26	2
β-strand	27-42	16	3
β-strand	47-59	13	3
α-helix	61-63	3
β-strand	73-77	5	3
α-helix	78-80	3
β-strand	86-88	3	4
β-strand	91	1	3
β-strand	96-97	2	3
β-strand	102-106	5	3
β-strand	110-113	4	3
β-strand	116-122	7	3
β-strand	134-142	9	4
β-strand	150-153	4	3
β-strand	158-159	2	4
β-strand	171-184	14	4
β-strand	191-203	13	4

Chains CaC, DaD, EaE, GaG, HaH, IaI and JJJ: 4 helices, 13 β-strands

Element	Residues	Length	Sheet
α-helix	3-13	11
α-helix	25-26	2
β-strand	27-42	16	5
β-strand	47-59	13	5
α-helix	61-63	3
β-strand	73-77	5	5
α-helix	78-80	3
β-strand	86-88	3	6
β-strand	91	1	5
β-strand	96-97	2	5
β-strand	102-106	5	5
β-strand	110-113	4	5
β-strand	116-122	7	5
β-strand	134-142	9	6
β-strand	150-153	4	5
β-strand	171-184	14	6
β-strand	191-203	13	6

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Acetylcholine-binding protein	AaA, BaB, CaC, DaD, EaE, FaF, GaG, HaH, IaI, JJJ	protein	210	Lymnaea stagnalis	P58154 (AlphaFold model)

Sequence of entity 1 (AaA, BaB, CaC, DaD, EaE, FaF, GaG, HaH, IaI, JJJ), FASTA

>7PD6_1 Acetylcholine-binding protein (chains AaA, BaB, CaC, DaD, EaE, FaF, GaG, HaH, IaI, JJJ)
ADRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDVVFWQRTTWSD
RTLAWDSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTPQLARVVSDGEVLYVPSIRQR
FSCDVSGVDTESGATCRIKIGSWTHHSREISVDPTTENSDDSEYFSQYSRFEILDVTQKK
NSVTYSCCPEAYEDVEVSLNFRKKGRSEIL

Ligands and cofactors

ID	Name	Formula	Copies
7II	Sulfoxaflor	C10 H10 F3 N3 O S	9

Primary citation

Structural Biology-Guided Design, Synthesis, and Biological Evaluation of Novel Insect Nicotinic Acetylcholine Receptor Orthosteric Modulators. Montgomery, M., Rendine, S., Zimmer, C.T. et al. J Med Chem (2022) 65:2297-2312. DOI 10.1021/acs.jmedchem.1c01767 · 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.
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…
7PE5 2.1 Å, Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP)…

Browse structure collections

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