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MolNFT v1 · #170429 · protein

X-ray structure of the haloalkane dehalogenase HALOTAG7 labeled with a chloroalkane-carbopyronine fluorophore substrate

6Y7B: “X-ray structure of the haloalkane dehalogenase HALOTAG7 labeled with a chloroalkane-carbopyronine fluorophore…”. X-ray diffraction, 2 ligands (OEK, CL). MolNFT v1 #170429 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6Y7B
Type
protein
Length
1,465 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P0A3G3
Ligands
OEK, CL

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E—protein293—P0A3G3

Ligands and binding sites

  • OEK · 4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid · ligand · 5 copies · chains A, B, E, C, D
  • CL · Chloride ion · ion · 5 copies · chains A, B, C, D, E

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

Compared structures

  • 6Y7B · X-ray structure of the Haloalkane dehalogenase HaloTag7 labeled with a… · the same entry in another collection · chain E against E, TM-score 1.00
  • P0A3G3 · AlphaFold monomer V2.0 prediction for haloalkane dehalogenase (P0A3G3) · a predicted model of the same protein · chain B against A, TM-score 0.99

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