MolNFT v1 · #32715 · protein

Crystal structure of apo achbp from aplysia californica

2BYN · Soluble acetylcholine receptor: “Crystal structure of apo achbp from aplysia californica”. X-ray diffraction, 1 ligand (NAG), 20 pockets (best druggability 0.71). MolNFT v1 #32715 on GenesisL1: 3D structure, binding sites and…

PDB: 2BYN
Type: protein
Length: 1,066 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Soluble acetylcholine receptor
UniProt: Q8WSF8
Ligands: NAG
Pockets: 20 · best druggability 0.71

Structure

x-ray diffraction · 5 distinct chains · 12% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Soluble acetylcholine receptor	protein	216	13% helix, 51% strand	Q8WSF8
B	Soluble acetylcholine receptor	protein	211	12% helix, 50% strand	Q8WSF8
C	Soluble acetylcholine receptor	protein	212	11% helix, 50% strand	Q8WSF8
D	Soluble acetylcholine receptor	protein	213	12% helix, 51% strand	Q8WSF8
E	Soluble acetylcholine receptor	protein	214	12% helix, 51% strand	Q8WSF8

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains E
PG4 · Tetraethylene glycol · additive · 4 copies · chains A, E, B, C, D
1PE · Pentaethylene glycol · additive · chains B, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	674	0.71	0.78	71	PG4
2	655	0.70	0.78	64	1PE
3	642	0.69	0.77	71	PG4
4	550	0.65	0.76	57	PG4
5	574	0.65	0.76	59	PG4

Interfaces

5 interfaces between chains.

D–E · 1374 Å² buried · 18 hydrogen bonds · protein-protein
A–E · 1341 Å² buried · 16 hydrogen bonds · protein-protein
B–C · 1335 Å² buried · 17 hydrogen bonds · protein-protein
A–B · 1328 Å² buried · 14 hydrogen bonds · protein-protein
C–D · 1326 Å² buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

2BYN · Crystal structure of apo AChBP from Aplysia californica · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q8WSF8
Elsewhere: RCSB PDB 2BYN · PDBe 2BYN · UniProt Q8WSF8

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.