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Crystal structure of arabidopsis thaliana peptide deformylase 1B (ATPDF1B) in complex with actinonin

Analyse Crystal structure of arabidopsis thaliana peptide deformylase 1B (ATPDF1B) in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3M6P
Type
protein
Length
360 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peptide deformylase 1B
EC
3.5.1.88
UniProt
Q9FUZ2
Ligands
BB2, ZN
Pockets
3 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPeptide deformylase 1B (EC 3.5.1.88)protein18035% helix, 28% strandQ9FUZ2

Ligands and binding sites

  • BB2 · Actinonin · ligand · 2 copies · chains A, B
  • ZN · Zinc ion · metal · 9 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11340.530.8124BB2
21340.520.8123BB2
3890.330.7320ZN

Interfaces

1 interface between chains.

  • A–B · 639 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 3M6P · Crystal structure of Arabidopsis thaliana peptide deformylase 1B (AtPDF1B) in complex… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9FUZ2 · AlphaFold monomer V2.0 prediction for peptide deformylase 1B, CHLOROPLASTIC/MITOCHONDRIAL… · a predicted model of the same protein · chain A against A, TM-score 0.99

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