MolNFT v1 · #186158 · protein

Structure of tabun inhibited acetylcholinesterase in complex with 2- ((HYDROXYIMINO)METHYL)-1-(5-(4-methyl-3-NITROBENZAMIDO)PENTYL) pyridinium

7R2F: “Structure of tabun inhibited acetylcholinesterase in complex with 2…”. X-ray diffraction, 3 ligands (I1X, 7PG, NAG). MolNFT v1 #186158 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7R2F
Type: protein
Length: 1,069 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P21836
Ligands: I1X, 7PG, NAG

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	536	—	P21836
B	—	protein	533	—	P21836

Ligands and binding sites

I1X · 4-methyl-3-nitro-~{N}-[(2~{E},4~{E})-5-[2-[(oxidanylamino)methyl]pyridin-1-yl]penta-2,4-dienyl]benzamide · ligand · 2 copies · chains A, B
7PG · 2,5,8,11,14,17,20,23-octaoxapentacosan-25-ol · ligand · chains A, B
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
PG0 · 2-(2-methoxyethoxy)ethanol · additive · 14 copies · chains A, B

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

Compared structures

7R2F · Structure of tabun inhibited acetylcholinesterase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
P21836 · AlphaFold monomer V2.0 prediction for acetylcholinesterase (P21836) · a predicted model of the same protein · chain B 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 P21836
Elsewhere: RCSB PDB 7R2F · PDBe 7R2F · UniProt P21836

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