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MolNFT v1 · #140197 · protein

Crystal structure of halotag (M175C) complexed with dansyl-PEG2- halotag ligand

5Y2Y: “Crystal structure of halotag (M175C) complexed with dansyl-PEG2- halotag ligand”. X-ray diffraction, 2 ligands (8LL, CL). MolNFT v1 #140197 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5Y2Y
Type
protein
Length
583 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P0A3G3
Ligands
8LL, CL

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein291—P0A3G3
B—protein292—P0A3G3

Ligands and binding sites

  • 8LL · 5-(dimethylamino)-~{N}-[2-(2-hexoxyethoxy) ethyl]naphthalene-1-sulfonamide · ligand · 2 copies · chains A, B
  • CL · Chloride ion · ion · 2 copies · chains A, B

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

Compared structures

  • 5Y2Y · Crystal structure of HaloTag (M175C) complexed with dansyl-PEG2-HaloTag ligand · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A3G3 · AlphaFold monomer V2.0 prediction for haloalkane dehalogenase (P0A3G3) · a predicted model of the same protein · chain A against A, TM-score 0.99

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