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Haloalkane dehalogenase with 1-hexanol

Analyse Haloalkane dehalogenase with 1-hexanol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4C6H
Type
protein
Length
291 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Haloalkane dehalogenase
EC
3.8.1.5
Ligands
HE2, CL
Pockets
1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHaloalkane dehalogenase (EC 3.8.1.5)protein29143% helix, 20% strand—

Ligands and binding sites

  • HE2 · Hexan-1-ol · ligand · chains A
  • CL · Chloride ion · ion · chains A
  • PGE · Triethylene glycol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11250.750.9428CL, HE2

Compared structures

  • 4C6H · Haloalkane dehalogenase with 1-hexanol · the same entry in another collection · chain A against A, TM-score 1.00

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