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Calcium bound form of human peptidylarginine deiminase TYPE4 (PAD4)

Analyse Calcium bound form of human peptidylarginine deiminase TYPE4 (PAD4) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1WD9
Type
protein
Length
603 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein-arginine deiminase type IV
EC
3.5.3.15
UniProt
Q9UM07
Ligands
CA, SO4
Pockets
4 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 22% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein-arginine deiminase type IV (EC 3.5.3.15)protein60322% helix, 37% strandQ9UM07

Ligands and binding sites

  • CA · Calcium ion · metal · 5 copies · chains A
  • SO4 · Sulfate ion · ion · 3 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11350.540.8227empty
2800.360.7624empty
3560.350.7915empty
4560.290.7517empty

Compared structures

  • 1WD9 · Calcium bound form of human peptidylarginine deiminase type4 (PAD4) · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UM07 · AlphaFold monomer V2.0 prediction for protein-arginine deiminase type-4 (Q9UM07) · a predicted model of the same protein · chain A against A, TM-score 0.99

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