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MolNFT v1 · #150209 · protein

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

6GMU: “Serum paraoxonase-1 by directed evolution with the L69G/H134R/F222S/T332S mutations”. X-ray diffraction, 2 ligands (CA, CL), 2 pockets (best druggability 0.74). MolNFT v1 #150209 on GenesisL1: 3D structure, binding sites and pockets…

PDB
6GMU
Type
protein
Length
338 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Serum paraoxonase-1 by directed evolution with the L69G/H134R/F222S/T332S mutations
Ligands
CA, CL
Pockets
2 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASerum paraoxonase-1 by directed evolution with the L69G/H134R/F222S/T332S mutationsprotein3387% helix, 47% strand—

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A
  • CL · Chloride ion · ion · 3 copies · chains A
  • B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · 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
12160.740.8927CA
22890.620.8036CA

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

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

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