› 4n20

X-ray diffraction
1.66Å resolution

Crystal structure of Protein Arginine Deiminase 2 (0 mM Ca2+)

Released:
DOI: 10.2210/pdb4n20/pdb
PDB entry 4n20 coloured by chain, front view.
PDB entry 4n20 coloured by chain, side view.
PDB entry 4n20 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Slade DJ, Fang P, Dreyton CJ, Zhang Y, Fuhrmann J, Rempel D, Bax BD, Coonrod SA, Lewis HD, Guo M, Gross ML, Thompson PR
ACS Chem Biol 10 1043-53 (2015)
PMID: 25621824

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-195140 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein-arginine deiminase type-2 Chain: A
Molecule details ›
Chain: A
Length: 690 amino acids
Theoretical weight: 78.67 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9Y2J8 (Residues: 1-665; Coverage: 100%)
Gene names: KIAA0994, PAD2, PADI2, PDI2
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand MPD 3 x MPD
Ligand ACT 1 x ACT
Ligand CA 2 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: C2
Unit cell:
a: 201.206Å b: 51.863Å c: 75.649Å
α: 90° β: 105.44° γ: 90°
R-values:
R R work R free
0.173 0.172 0.204
Expression system: Escherichia coli

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Citations

22 review citations

Rheumatoid Arthritis-Associated Mechanisms of Porphyromonas gingivalis and Aggregatibacter actinomycetemcomitans.
Gómez-Bañuelos et al. (2019)
21 more

7 mentions without citation

Chemical biology of protein arginine modifications in epigenetic regulation.
Fuhrmann et al. (2015)
6 more