5BRX: Aplysia californica

X-ray crystal structure of Aplysia californica (Ac-AChBP) in complex with 2-pyridyl azatricyclo[3.3.1.13,7]decane; 2-pyridylazaadamantane; 2-Aza (TI-8480). Determined by X-ray diffraction at 2.05 Å resolution. Released 24 Jun 2015.

Method: X-ray diffraction
Resolution: 2.05 Å
Organism: Aplysia californica
Chains: 10
Atoms: 17,057
Mol. weight: 265.33 kDa
Ligands: TI4
Released: 24 Jun 2015

Explore 5BRX in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5BRX contains 41 α-helices and 158 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, 17 β-strands

Element	Residues	Length	Sheet
α-helix	-2-14	17
β-strand	24	1	1
β-strand	27	1	1
β-strand	29-44	16	2
β-strand	49-66	18	2
α-helix	69-72	4
β-strand	77-81	5	2
α-helix	82-84	3
β-strand	90-92	3	3
β-strand	95	1	2
β-strand	100-101	2	2
β-strand	106-110	5	2
β-strand	112-117	6	2
β-strand	120-126	7	2
β-strand	138-146	9	3
β-strand	154-157	4	2
β-strand	162	1	3
α-helix	163	1
β-strand	164	1	2
β-strand	174-188	15	3
β-strand	191-206	16	3

Chain B: 5 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	-6-13	20
β-strand	29-44	16	4
β-strand	49-66	18	4
α-helix	69-71	3
β-strand	77-81	5	4
α-helix	82-84	3
β-strand	90-92	3	5
β-strand	95	1	4
α-helix	98-99	2
β-strand	100-101	2	4
β-strand	106-110	5	4
β-strand	112-117	6	4
β-strand	120-126	7	4
β-strand	138-146	9	5
β-strand	154-158	5	4
β-strand	162	1	5
α-helix	163	1
β-strand	164	1	4
β-strand	174-186	13	5
β-strand	195-206	12	5

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

Element	Residues	Length	Sheet
α-helix	-2-14	17
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
α-helix	98-99	2
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	154-158	5	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: 3 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	-6-14	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
β-strand	164	1	9
β-strand	174-186	13	10
β-strand	195-206	12	10

Chains E and J: 4 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	69-71	3
β-strand	77-81	5	11
α-helix	82-84	3
β-strand	90-92	3	12
β-strand	95	1	11
α-helix	98-99	2
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	174-186	13	12
β-strand	195-206	12	12

Chain F: 5 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	-3-14	18
β-strand	24	1	13
β-strand	27	1	13
β-strand	29-44	16	14
β-strand	49-66	18	14
α-helix	69-72	4
β-strand	77-81	5	14
α-helix	82-84	3
β-strand	90-92	3	15
β-strand	95	1	14
α-helix	98-99	2
β-strand	100-101	2	14
β-strand	106-110	5	14
β-strand	112-117	6	14
β-strand	120-126	7	14
β-strand	138-146	9	15
β-strand	154-157	4	14
β-strand	162	1	15
α-helix	163	1
β-strand	164	1	14
β-strand	174-188	15	15
β-strand	191-206	16	15

Chain G: 4 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	-6-13	20
β-strand	29-44	16	16
β-strand	49-66	18	16
α-helix	69-71	3
β-strand	77-81	5	16
α-helix	82-84	3
β-strand	90-92	3	17
β-strand	95	1	16
β-strand	100-101	2	16
β-strand	106-110	5	16
β-strand	112-117	6	16
β-strand	120-126	7	16
β-strand	138-146	9	17
β-strand	154-157	4	16
β-strand	162	1	17
α-helix	163	1
β-strand	164	1	16
β-strand	174-186	13	17
β-strand	195-206	12	17

Chain I: 4 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	-6-14	21
β-strand	24	1	20
β-strand	27	1	20
β-strand	29-44	16	21
β-strand	49-61	13	21
α-helix	63-65	3
α-helix	69-72	4
β-strand	77-81	5	21
α-helix	82-84	3
β-strand	90-92	3	22
β-strand	95	1	21
β-strand	100-101	2	21
β-strand	106-110	5	21
β-strand	114-117	4	21
β-strand	120-126	7	21
β-strand	138-146	9	22
β-strand	154-157	4	21
β-strand	162	1	22
β-strand	164	1	21
β-strand	174-186	13	22
β-strand	195-206	12	22

Molecules and chains

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

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

>5BRX_1 Soluble acetylcholine receptor (chains A, B, C, D, E, F, G, H, I, J)
DYKDDDDKLHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKADSSTNEVD
LVYWEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTRPVQVLSPQIAVVTH
DGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGSWVYSGFEIDLKTDTDQVDLSSYYAS
SKYEILSATQTRQVQHYSCCPEPYIDVNLVVKFRERRAGNGFFRNLFDSR

Ligands and cofactors

ID	Name	Formula	Copies
TI4	(2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane	C14 H18 N2	4

Water and common crystallization additives (SO4, PG4) are not listed.

Primary citation

Comparisons of Binding Affinities for Neuronal Nicotinic Receptors (NNRs) and AChBPs. Bobango, J., Sankaran, B., Park, J.F. et al. To be published.

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
2PGZ 1.76 Å, Crystal structure of Cocaine bound to an ACh-Binding Protein
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…

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