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Strep peptide deformylase with a time dependent dichlorobenzamide- reverse hydroxamic acid

Analyse Strep peptide deformylase with a time dependent dichlorobenzamide- reverse… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3SW8
Type
protein
Length
194 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peptide deformylase 3
EC
3.5.1.88
UniProt
Q939R9
Ligands
5LI, NI, SO4
Pockets
1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
PPeptide deformylase 3 (EC 3.5.1.88)protein19430% helix, 26% strandQ939R9

Ligands and binding sites

  • 5LI · 2,3-dichloro-N-{2-[formyl(hydroxy)amino]ethyl}benzamide · ligand · chains P
  • NI · Nickel (II) ion · metal · chains P
  • SO4 · Sulfate ion · ion · 3 copies · chains P

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
11680.520.78255LI

Compared structures

  • 3SW8 · Strep Peptide Deformylase with a time dependent dichlorobenzamide-reverse hydroxamic acid · the same entry in another collection · chain P against P, TM-score 1.00

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