2PGZ: Cocaine

Crystal structure of Cocaine bound to an ACh-Binding Protein. Determined by X-ray diffraction at 1.76 Å resolution. Released 3 Jul 2007.

Method: X-ray diffraction
Resolution: 1.76 Å
Organism: Aplysia californica
Chains: 5
Atoms: 9,900
Mol. weight: 133.38 kDa
Ligands: COC, NAG
Released: 3 Jul 2007

Explore 2PGZ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2PGZ contains 17 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	-4-14	19
β-strand	29-44	16	1
β-strand	49-66	18	1
α-helix	69-71	3
β-strand	77-81	5	1
α-helix	82-84	3
β-strand	90-92	3	2
β-strand	95	1	1
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
α-helix	163	1
β-strand	164	1	1
β-strand	174-186	13	2
β-strand	195-206	12	2

Chain B: 3 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	-4-14	19
β-strand	29-44	16	3
β-strand	49-66	18	3
α-helix	69-71	3
β-strand	77-81	5	3
α-helix	82-84	3
β-strand	90-92	3	4
β-strand	95	1	3
β-strand	100-101	2	3
β-strand	106-110	5	3
β-strand	112-117	6	3
β-strand	120-126	7	3
β-strand	138-146	9	4
β-strand	154-157	4	3
β-strand	162	1	4
β-strand	164	1	3
β-strand	174-188	15	4
β-strand	191-206	16	4

Chain C: 3 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	-3-13	17
β-strand	24	1	5
β-strand	27	1	5
β-strand	29-44	16	6
β-strand	49-66	18	6
α-helix	69-71	3
β-strand	77-81	5	6
α-helix	82-84	3
β-strand	90-92	3	7
β-strand	95	1	6
β-strand	100-101	2	6
β-strand	106-110	5	6
β-strand	112-117	6	6
β-strand	120-126	7	6
β-strand	138-146	9	7
β-strand	154-157	4	6
β-strand	162	1	7
β-strand	164	1	6
β-strand	174-186	13	7
β-strand	195-206	12	7

Chain D: 4 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	-7-13	21
β-strand	24	1	8
β-strand	27	1	8
β-strand	29-44	16	9
β-strand	49-66	18	9
α-helix	69-72	4
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	174-186	13	10
β-strand	195-206	12	10

Chain E: 3 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	-4-13	18
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	174-188	15	12
β-strand	191-206	16	12

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Soluble acetylcholine receptor	A, B, C, D, E	protein	230	Aplysia californica	Q8WSF8 (AlphaFold model)

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

>2PGZ_1 Soluble acetylcholine receptor (chains A, B, C, D, E)
DYKDDDDKLHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKADSSTNEVD
LVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTRPVQVLSPQIAVVTH
DGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGSWVYSGFEIDLKTDTDQVDLSSYYAS
SKYEILSATQTRQVQHYSCCPEPYIDVNLVVKFRERRAGNGFFRNLFDSR

Ligands and cofactors

ID	Name	Formula	Copies
COC	Cocaine	C17 H21 N O4	2
NAG	2-acetamido-2-deoxy-beta-D-glucopyranose	C8 H15 N O6	1

Water and common crystallization additives (PG4) are not listed.

Primary citation

Galanthamine and non-competitive inhibitor binding to ACh-binding protein: evidence for a binding site on non-alpha-subunit interfaces of heteromeric neuronal nicotinic receptors. Hansen, S.B., Taylor, P. J Mol Biol (2007) 369:895-901. DOI 10.1016/j.jmb.2007.03.067 · PubMed

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
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…
4WV9 2.0 Å, Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in…

Browse structure collections

About this viewer

MolViewer shows 2PGZ 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.