MolNFT v1 · #172932 · protein

Crystal structure of torpedo californica acetylcholinesterase in complex with 6-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11- METHANOCYCLOOCTA[B]QUINOLIN-12-YL)AMINO]-N-(4-hydroxy-3- METHOXYBENZYL)HEXANAMIDE

7AIS: “Crystal structure of torpedo californica acetylcholinesterase in complex with…”. X-ray diffraction, 3 ligands (8UH, NAG, CL). MolNFT v1 #172932 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7AIS
Type: protein
Length: 1,064 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P04058
Ligands: 8UH, NAG, CL

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	—	protein	532	—	P04058

Ligands and binding sites

8UH · 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide · ligand · 2 copies · chains A, B
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A, B
CL · Chloride ion · ion · 2 copies · chains A
PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A

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

Compared structures

7AIS · Crystal structure of Torpedo Californica acetylcholinesterase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
P04058 · AlphaFold monomer V2.0 prediction for acetylcholinesterase (P04058) · a predicted model of the same protein · 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 P04058
Elsewhere: RCSB PDB 7AIS · PDBe 7AIS · UniProt P04058

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