4QAC: ACETYLCHOLINE BINDING PROTEIN

X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(4-methylpiperidin-1-yl)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine. Determined by X-ray diffraction at 2.1 Å resolution. Released 16 Jul 2014.

Method: X-ray diffraction
Resolution: 2.1 Å
Organism: Lymnaea stagnalis
Chains: 10
Atoms: 17,777
Mol. weight: 253.77 kDa
Ligands: KK3, NAG, PO4
Released: 16 Jul 2014

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

Secondary structure: helices and β-sheets

4QAC contains 37 α-helices and 141 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.

Chain A: 4 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	-6--4	3
α-helix	0-13	14
β-strand	22	1	1
β-strand	25	1	1
β-strand	27-42	16	2
β-strand	47-59	13	2
α-helix	61-63	3
β-strand	73-77	5	2
α-helix	78-80	3
β-strand	86-88	3	3
β-strand	91	1	2
β-strand	96-97	2	2
β-strand	102-106	5	2
β-strand	110-113	4	2
β-strand	116-122	7	2
β-strand	134-142	9	3
β-strand	150-154	5	2
β-strand	171-184	14	3
β-strand	191-203	13	3

Chains B, E and J: 3 helices, 13 β-strands

Element	Residues	Length	Sheet
α-helix	0-13	14
β-strand	27-42	16	4
β-strand	47-59	13	4
α-helix	61-63	3
β-strand	73-77	5	4
α-helix	78-80	3
β-strand	86-88	3	5
β-strand	91	1	4
β-strand	96-97	2	4
β-strand	102-106	5	4
β-strand	110-113	4	4
β-strand	116-122	7	4
β-strand	134-142	9	5
β-strand	150-153	4	4
β-strand	171-184	14	5
β-strand	191-203	13	5

Chain C: 4 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	-6--4	3
α-helix	0-13	14
β-strand	22	1	6
β-strand	25	1	6
β-strand	27-42	16	7
β-strand	47-59	13	7
α-helix	61-63	3
β-strand	73-77	5	7
α-helix	78-80	3
β-strand	86-88	3	8
β-strand	91	1	7
β-strand	96-97	2	7
β-strand	102-106	5	7
β-strand	110-113	4	7
β-strand	116-122	7	7
β-strand	134-142	9	8
β-strand	150-153	4	7
β-strand	171-183	13	8
β-strand	192-203	12	8

Chain D: 4 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	-6--2	5
α-helix	0-13	14
β-strand	22	1	9
β-strand	25	1	9
β-strand	27-42	16	10
β-strand	47-59	13	10
α-helix	61-63	3
β-strand	73-77	5	10
α-helix	78-80	3
β-strand	86-88	3	11
β-strand	91	1	10
β-strand	96-97	2	10
β-strand	102-106	5	10
β-strand	110-113	4	10
β-strand	116-122	7	10
β-strand	134-142	9	11
β-strand	150-154	5	10
β-strand	171-183	13	11
β-strand	192-203	12	11

Chain F: 4 helices, 13 β-strands

Element	Residues	Length	Sheet
α-helix	-6--4	3
α-helix	0-13	14
β-strand	27-42	16	14
β-strand	47-59	13	14
α-helix	61-63	3
β-strand	73-77	5	14
α-helix	78-80	3
β-strand	86-88	3	15
β-strand	91	1	14
β-strand	96-97	2	14
β-strand	102-106	5	14
β-strand	110-113	4	14
β-strand	116-122	7	14
β-strand	134-142	9	15
β-strand	150-154	5	14
β-strand	171-184	14	15
β-strand	191-203	13	15

Chain G: 4 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	0-13	14
α-helix	21	1
β-strand	22	1	16
β-strand	25	1	16
β-strand	27-42	16	17
β-strand	47-59	13	17
α-helix	61-63	3
β-strand	73-77	5	17
α-helix	78-80	3
β-strand	86-88	3	18
β-strand	91	1	17
β-strand	96-97	2	17
β-strand	102-106	5	17
β-strand	110-113	4	17
β-strand	116-122	7	17
β-strand	134-142	9	18
β-strand	150-153	4	17
β-strand	171-184	14	18
β-strand	191-203	13	18

Chain H: 4 helices, 16 β-strands

Element	Residues	Length	Sheet
α-helix	-6--4	3
α-helix	0-13	14
β-strand	22	1	19
β-strand	25	1	19
β-strand	27-38	12	20
β-strand	42	1	20
β-strand	47-59	13	20
α-helix	61-63	3
β-strand	73-77	5	20
α-helix	78-80	3
β-strand	86-88	3	21
β-strand	91	1	20
β-strand	96-97	2	20
β-strand	102-106	5	20
β-strand	110-113	4	20
β-strand	116-122	7	20
β-strand	134-142	9	21
β-strand	150-153	4	20
β-strand	171-185	15	21
β-strand	188-203	16	21

Chain I: 4 helices, 13 β-strands

Element	Residues	Length	Sheet
α-helix	-6--4	3
α-helix	0-13	14
β-strand	27-42	16	22
β-strand	47-59	13	22
α-helix	61-63	3
β-strand	73-77	5	22
α-helix	78-80	3
β-strand	86-88	3	23
β-strand	91	1	22
β-strand	96-97	2	22
β-strand	102-106	5	22
β-strand	110-113	4	22
β-strand	116-122	7	22
β-strand	134-142	9	23
β-strand	150-153	4	22
β-strand	171-184	14	23
β-strand	191-203	13	23

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Acetylcholine-binding protein	A, B, C, D, E, F, G, H, I, J	protein	217	Lymnaea stagnalis	P58154 (AlphaFold model)

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

>4QAC_1 Acetylcholine-binding protein (chains A, B, C, D, E, F, G, H, I, J)
DYKDDDDKLDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDVVF
WQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTPQLARVVSDGEVL
YMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSREISVDPTTENSDDSEYFSQYSRFE
ILDVTQKKNSVTYSCCPEAYEDVEVSLNFRKKGRSEI

Ligands and cofactors

ID	Name	Formula	Copies
KK3	4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine	C17 H19 F3 N4	10
NAG	2-acetamido-2-deoxy-beta-D-glucopyranose	C8 H15 N O6	9
PO4	Phosphate ion	O4 P	10

Primary citation

Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein. Kaczanowska, K., Harel, M., Radic, Z. et al. Proc Natl Acad Sci U S A (2014) 111:10749-10754. DOI 10.1073/pnas.1410992111 · 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…
7PE5 2.1 Å, Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP)…

Browse structure collections

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