7ndv

X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001888.

Method: X-RAY DIFFRACTION

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1. Protein Identity and Related Structures Protein Identity & Related Structures

Acetylcholine-binding protein

Lymnaea stagnalis

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein homooligomer	Homooligomer	Protein 5	4-[4-(trifluoromethyl)phenoxy]piperidine × 4 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 SULFATE ION × 1 water × 5	Consistent with protein count
2	Protein homooligomer	Homooligomer	Protein 5	4-[4-(trifluoromethyl)phenoxy]piperidine × 5 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 SULFATE ION × 3 water × 5	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	ACHP_LYMST
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–229； UniProt 1–229 Author chain B； PDBConstruct 1–229； UniProt 1–229 Author chain C； PDBConstruct 1–229； UniProt 1–229 Author chain D； PDBConstruct 1–229； UniProt 1–229 Author chain E； PDBConstruct 1–229； UniProt 1–229 Author chain F； PDBConstruct 1–229； UniProt 1–229 Author chain G； PDBConstruct 1–229； UniProt 1–229 Author chain H； PDBConstruct 1–229； UniProt 1–229 Author chain I； PDBConstruct 1–229； UniProt 1–229 Author chain J； PDBConstruct 1–229； UniProt 1–229

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	7ndv
Deposition date deposition_date	2021-02-02
Structure title title	X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001888.
Keywords keywords	Fragment based drug design, Acetylcholine-binding protein, CHOLINE-BINDING PROTEIN; CHOLINE-BINDING PROTEIN
Experimental Method method	X-RAY DIFFRACTION

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3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

7ndv__assembly_1__model_1

Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

7ndv__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

7ndv__assembly_1__model_1 | P(r) · Pending

P(r) will be calculated and displayed separately for the same assembly/model.

Rg（Guinier）	31.62 Å
Rg (electron density)	29.82 Å
Total Rg	30.73 Å
Atom count	8194
Residues	1011
Excluded volume	144490 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`7ndv__assembly_1__model_1`	pentameric （5）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`7ndv__assembly_2__model_1`	pentameric （5）	Success	4.1.3-1-20251215 (887e7ef)	View Download

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4. Crystallography and Experiment 4. Crystallography & Experiment

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5. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	Acetylcholine-binding protein
Molecular weight formula_weight	27060.3 kDa
Source method src_method	man
Copy count entity_count	10

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D,E,F,G,H,I,J
Atom count atom_count	17801

MRRNIFCLACLWIVQACLSLDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDVVFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTPQLARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSREISVDPTTENSDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSLNFRKKGRSEILGSHHHHHH

Source Source

Source organism organism	Lymnaea stagnalis
Common name common_name	Great pond snail, Helix stagnalis
NCBI taxonomy ID ncbi_taxonomy_id	6523
Host organism host_organism	Spodoptera frugiperda

Entity 2 Entity 2 non-polymer

Description description	4-[4-(trifluoromethyl)phenoxy]piperidine
Molecular weight formula_weight	245.2 kDa
Source method src_method	syn
Copy count entity_count	9

Entity 3 Entity 3 non-polymer

Description description	2-acetamido-2-deoxy-beta-D-glucopyranose
Molecular weight formula_weight	221.2 kDa
Source method src_method	syn
Copy count entity_count	5

Entity 4 Entity 4 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	man
Copy count entity_count	4

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	1115

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6. Fold Classification (SCOP + CATH) 11 domains

SCOP 2.08 (11 domains)

Domain ID domain_id	d7ndva_
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

Domain ID domain_id	d7ndvb_
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

Domain ID domain_id	d7ndvc_
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

Domain ID domain_id	d7ndvd_
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

Domain ID domain_id	d7ndve_
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

Domain ID domain_id	d7ndvf_
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

Domain ID domain_id	d7ndvg_
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

Domain ID domain_id	d7ndvh1
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

Domain ID domain_id	d7ndvh2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

Domain ID domain_id	d7ndvi_
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

Domain ID domain_id	d7ndvj_
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

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Unit-cell length a length_a	76.680 Å
Unit-cell length b length_b	121.270 Å
Unit-cell length c length_c	239.300 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	40

Space group space_group	P 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	1.700 Å
Low-resolution limit resolution_low	48.270 Å
R factor r_factor	0.2064
R_work r_work	0.2050
R_free r_free	0.2331

X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001888.

1. Protein Identity and Related Structures Protein Identity & Related Structures

Acetylcholine-binding protein

State in the Current Structure

Other States of the Same Protein in the Database

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

7ndv__assembly_1__model_1

7ndv__assembly_1__model_1 | I(q)

7ndv__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 water

6. Fold Classification (SCOP + CATH) 11 domains

SCOP 2.08 (11 domains)

7. Citations (1)

X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001888.

1. Protein Identity and Related Structures Protein Identity & Related Structures

Acetylcholine-binding protein

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

7ndv__assembly_1__model_1

7ndv__assembly_1__model_1 | I(q)

7ndv__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 water

6. Fold Classification (SCOP + CATH) 11 domains

SCOP 2.08 (11 domains)

7. Citations (1)