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Apo crystal structure of class I type B peptide deformylase from pseudomonas aeruginosa

Analyse Apo crystal structure of class I type B peptide deformylase from pseudomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6JF9
Type
protein
Length
321 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peptide deformylase
EC
3.5.1.88
UniProt
A0A1C7BES9
Ligands
NI
Pockets
6 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeptide deformylase (EC 3.5.1.88)protein15930% helix, 31% strandA0A1C7BES9
BPeptide deformylase (EC 3.5.1.88)protein16232% helix, 32% strandA0A1C7BES9

Ligands and binding sites

  • NI · Nickel (II) ion · metal · 2 copies · chains A, B
  • GOL · Glycerol · additive · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12020.620.8233empty
21530.580.8327empty
31200.480.7918NI, GOL
4930.400.7720empty
5860.330.7417empty

Interfaces

1 interface between chains.

  • A–B · 524 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 6JF9 · Apo crystal structure of class I type b peptide deformylase from Pseudomonas aeruginosa · the same entry in another collection · chain A against A, TM-score 1.00

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