› 5n1b

X-ray diffraction
2.9Å resolution

hPAD4 crystal complex with AFM-14a

Released:
DOI: 10.2210/pdb5n1b/pdb
PDB entry 5n1b coloured by chain, front view.
PDB entry 5n1b coloured by chain, side view.
PDB entry 5n1b 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 8FW 1 x 8FW
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: C2
Unit cell:
a: 147.58Å b: 60.6Å c: 115.98Å
α: 90° β: 124.62° γ: 90°
R-values:
R R work R free
0.225 0.222 0.284
Expression system: Escherichia coli

Quick links

Citations

11 review citations

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

3 mentions without citation

Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
Muth et al. (2017)
2 more