› 5n0y

X-ray diffraction
2.23Å resolution

hPAD4 crystal complex with AFM-30a

Released:
DOI: 10.2210/pdb5n0y/pdb
PDB entry 5n0y coloured by chain, front view.
PDB entry 5n0y coloured by chain, side view.
PDB entry 5n0y coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
Muth A, Subramanian V, Beaumont E, Nagar M, Kerry P, McEwan P, Srinath H, Clancy K, Parelkar S, Thompson PR
J Med Chem 60 3198-3211 (2017)
PMID: 28328217

Function and Biology Details

Reaction catalysed: 
Protein L-arginine + H(2)O = protein L-citrulline + NH(3)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-193952 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein-arginine deiminase type-4 Chain: A
Molecule details ›
Chain: A
Length: 670 amino acids
Theoretical weight: 74.82 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9UM07 (Residues: 1-663; Coverage: 100%)
Gene names: PAD4, PADI4, PADI5, PDI5
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand SO4 2 x SO4
Ligand CA 5 x CA
Ligand 8FQ 1 x 8FQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: C2
Unit cell:
a: 147.556Å b: 60.929Å c: 115.656Å
α: 90° β: 124.69° γ: 90°
R-values:
R R work R free
0.18 0.178 0.227
Expression system: Escherichia coli

Quick links

Citations

10 review citations

Cellular Mechanisms of NETosis.
Thiam et al. (2020)
9 more

4 mentions without citation

Chemical biology of protein citrullination by the protein A arginine deiminases.
Mondal et al. (2021)
3 more