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MolNFT v1 · #56339 · protein

Organophosphorus hydrolase from deinococcus radiodurans

2ZC1 · Phosphotriesterase: “Organophosphorus hydrolase from deinococcus radiodurans”. X-ray diffraction, 2 ligands (CO, BR), 1 pocket (best druggability 0.60). MolNFT v1 #56339 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2ZC1
Type
protein
Length
333 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphotriesterase
EC
3.1.8.1
UniProt
Q9RVU2
Ligands
CO, BR
Pockets
1 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphotriesterase (EC 3.1.8.1)protein33345% helix, 15% strandQ9RVU2

Ligands and binding sites

  • CO · Cobalt (II) ion · metal · 2 copies · chains A
  • BR · Bromide ion · ion · 4 copies · 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
12520.600.7940empty

Modifications

Observed in the structure: 1 modified (carboxylation).

Compared structures

  • 2ZC1 · Organophosphorus Hydrolase from Deinococcus radiodurans · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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