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MolNFT v1 · #13885 · protein

Crystal structure of bacillus stearothermophilus peptide deformylase complexed with antibiotic actinonin

1LQY · Peptide deformylase 2: “Crystal structure of bacillus stearothermophilus peptide deformylase complexed with antibiotic actinonin”. X-ray diffraction, 2 ligands (BB2, NI), 1 pocket (best druggability 0.47). MolNFT v1 #13885 on…

PDB
1LQY
Type
protein
Length
184 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peptide deformylase 2
EC
3.5.1.88
UniProt
O31410
Ligands
BB2, NI
Pockets
1 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeptide deformylase 2 (EC 3.5.1.88)protein18429% helix, 28% strandO31410

Ligands and binding sites

  • BB2 · Actinonin · ligand · chains A
  • NI · Nickel (II) ion · metal · 2 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11170.470.7922BB2

Compared structures

  • 1LQY · Crystal Structure of Bacillus stearothermophilus Peptide Deformylase Complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
  • O31410 · AlphaFold monomer V2.0 prediction for peptide deformylase 2 (O31410) · a predicted model of the same protein · chain A against A, TM-score 0.99

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