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MolNFT v1 · #153483 · protein

K4U bound crystal structure of class II peptide deformylase from methicillin resistant staphylococcus aureus

6JFS: “K4U bound crystal structure of class II peptide deformylase from methicillin resistant staphylococcus aureus”. X-ray diffraction, 2 ligands (LHY, NI), 1 pocket (best druggability 0.55). MolNFT v1 #153483 on GenesisL1: 3D structure…

PDB
6JFS
Type
protein
Length
183 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peptide deformylase
EC
3.5.1.88
UniProt
P68826
Ligands
LHY, NI
Pockets
1 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeptide deformylase (EC 3.5.1.88)protein18328% helix, 25% strandP68826

Ligands and binding sites

  • LHY · L-[(N-hydroxyamino)carbonyl]phenylalanine · ligand · chains A
  • NI · Nickel (II) ion · metal · 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
11260.550.8219LHY

Compared structures

  • 6JFS · K4U bound crystal structure of class II peptide deformylase from methicillin resistant… · the same entry in another collection · chain A against A, TM-score 1.00
  • P68826 · AlphaFold monomer V2.0 prediction for peptide deformylase (P68826) · a predicted model of the same protein · chain A against A, TM-score 0.99

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