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MolNFT v1 · #186353 · protein

Room temperature structure of hache in complex with substrate analog 4K-tma and MMB4 oxime

7RB7: “Room temperature structure of hache in complex with substrate analog 4K-tma and MMB4 oxime”. X-ray diffraction, 2 ligands (NWA, 3VI). MolNFT v1 #186353 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7RB7
Type
protein
Length
1,080 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P22303
Ligands
NWA, 3VI

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B—protein540—P22303

Ligands and binding sites

  • NWA · 4,4-dihydroxy-N,N,N-trimethylpentan-1-aminium · ligand · 2 copies · chains A, B
  • 3VI · 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium} · ligand · 2 copies · chains A, B

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

Compared structures

  • 7RB7 · Room temperature structure of hAChE in complex with substrate analog 4K-TMA and MMB4 oxime · the same entry in another collection · chain A against A, TM-score 1.00
  • P22303 · AlphaFold monomer V2.0 prediction for acetylcholinesterase (P22303) · a predicted model of the same protein · chain A against A, TM-score 1.00

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