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MolNFT v1 · #14135 · protein

Bacterial heroin esterase complex with transition state analog dimethylarsenic acid

1LZK: “Bacterial heroin esterase complex with transition state analog dimethylarsenic acid”. X-ray diffraction, 1 pocket (best druggability 0.79). MolNFT v1 #14135 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1LZK
Type
protein
Length
317 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heroin esterase
UniProt
O06441
Pockets
1 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHeroin esteraseprotein31739% helix, 18% strandO06441

Ligands and binding sites

  • CAC · Cacodylate ion · 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
15290.790.8652CAC

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 1LZK · Bacterial heroin esterase complex with transition state analog dimethylarsenic acid · the same entry in another collection · chain A against A, TM-score 1.00

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