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Deacetoxycephalosporin C synthase complexed with deacetoxycephalosporin C

Analyse Deacetoxycephalosporin C synthase complexed with deacetoxycephalosporin C in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1UOG
Type
protein
Length
256 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Deacetoxycephalosporin C synthetase
EC
1.14.20.1
UniProt
P18548
Ligands
P1C, FE2
Pockets
2 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADeacetoxycephalosporin C synthetase (EC 1.14.20.1)protein25633% helix, 24% strandP18548

Ligands and binding sites

  • P1C · Deacetoxycephalosporin-C · ligand · chains A
  • FE2 · Fe (II) ion · metal · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12380.590.8033P1C
2600.280.7415empty

Compared structures

  • 1UOG · Deacetoxycephalosporin C synthase complexed with deacetoxycephalosporin C · the same entry in another collection · chain A against A, TM-score 1.00
  • P18548 · AlphaFold monomer V2.0 prediction for deacetoxycephalosporin C synthase (P18548) · a predicted model of the same protein · chain A against A, TM-score 0.88

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