MolNFT v1 · #148018 · protein
Butyrylcolinesterase expressed in cho cells co-crystallised with a rivastigmine analogue
6EUL · Cholinesterase: “Butyrylcolinesterase expressed in cho cells co-crystallised with a rivastigmine analogue”. X-ray diffraction, 2 ligands (BY2, NAG), 5 pockets (best druggability 0.77). MolNFT v1 #148018 on GenesisL1: 3D structure…
- PDB
- 6EUL
- Type
- protein
- Length
- 527 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cholinesterase
- EC
- 3.1.1.8
- UniProt
- P06276
- Ligands
- BY2, NAG
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cholinesterase (EC 3.1.1.8) | protein | 527 | 36% helix, 17% strand | P06276 |
Ligands and binding sites
- BY2 · [3-[(1~{R})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{N}-ethyl-~{N}-methyl-carbamate · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 446 | 0.77 | 0.86 | 40 | BY2, EDO |
| 2 | 459 | 0.64 | 0.77 | 44 | empty |
| 3 | 59 | 0.38 | 0.79 | 17 | empty |
| 4 | 77 | 0.36 | 0.76 | 17 | empty |
| 5 | 78 | 0.32 | 0.74 | 17 | empty |
Modifications
Observed in the structure: 3 disulfide, 3 glycan, 1 modified (disulfide, N-glycosylation, nonstandard).
Compared structures
- P06276 · AlphaFold monomer V2.0 prediction for cholinesterase (P06276) · 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 P06276
- Elsewhere: RCSB PDB 6EUL · PDBe 6EUL · UniProt P06276
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