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Serum paraoxonase-1 by directed evolution with the L69G/H115W/H134R/F222S/T332S mutations

Analyse Serum paraoxonase-1 by directed evolution with the L69G/H115W/H134R/F222S/T332S… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6H0A
Type
protein
Length
339 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.1
Source
Homo sapiens
Molecule
Serum Paraoxonase-1 by directed evolution with the L69G/H115W/H134R/F222S/T332S mutations
Ligands
CA, BR
Pockets
2 · best druggability 0.74

Structure

x-ray diffraction · resolution 2.1 · 1 distinct chain · 9% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASerum Paraoxonase-1 by directed evolution with the L69G/H115W/H134R/F222S/T332S mutationsprotein3399% helix, 46% strand—

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A
  • BR · Bromide ion · ion · chains A
  • B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A
  • LMT · Dodecyl-beta-D-maltoside · additive · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12120.740.9032CA
22810.620.8038CA

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6H0A · Serum paraoxonase-1 by directed evolution with the L69G/H115W/H134R/F222S/T332S mutations · the same entry in another collection · chain A against A, TM-score 1.00

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