Calcium in PDB 4n2m: Crystal Structure of Protein Arginine Deiminase 2 (E354A, 0 Mm CA2+)

All present enzymatic activity of Crystal Structure of Protein Arginine Deiminase 2 (E354A, 0 Mm CA2+):
3.5.3.15;

The structure of Crystal Structure of Protein Arginine Deiminase 2 (E354A, 0 Mm CA2+), PDB code: 4n2m was solved by D.J.Slade, X.Zhang, P.Fang, C.J.Dreyton, Y.Zhang, M.L.Gross, M.Guo, S.A.Coonrod, P.R.Thompson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.66 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	202.261, 51.636, 76.191, 90.00, 105.60, 90.00
R / Rfree (%)	17.7 / 20.4

The binding sites of Calcium atom in the Crystal Structure of Protein Arginine Deiminase 2 (E354A, 0 Mm CA2+) (pdb code 4n2m). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of Protein Arginine Deiminase 2 (E354A, 0 Mm CA2+), PDB code: 4n2m:

Calcium binding site 1 out of 1 in the Crystal Structure of Protein Arginine Deiminase 2 (E354A, 0 Mm CA2+)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Protein Arginine Deiminase 2 (E354A, 0 Mm CA2+) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca705 b:30.7 occ:1.00 OE1 A:GLU131 2.6 25.7 1.0 O A:VAL129 2.6 31.9 1.0 OD1 A:ASP123 2.6 25.0 1.0 OD1 A:ASP125 2.6 37.9 1.0 OD1 A:ASP127 2.8 46.1 1.0 O A:HOH932 2.9 43.7 1.0 CG A:ASP127 3.2 42.0 1.0 CG A:ASP125 3.4 33.7 1.0 OD2 A:ASP127 3.5 40.4 1.0 CD A:GLU131 3.5 30.3 1.0 CG A:ASP123 3.5 27.3 1.0 C A:VAL129 3.6 28.7 1.0 OD2 A:ASP125 3.7 33.8 1.0 N A:VAL129 3.9 31.0 1.0 N A:ASP127 4.0 25.6 1.0 CA A:ASP123 4.1 20.3 1.0 OE2 A:GLU131 4.1 24.5 1.0 N A:GLU131 4.1 24.6 1.0 CB A:ASP123 4.1 24.1 1.0 CA A:VAL129 4.1 31.8 1.0 CB A:GLU131 4.2 26.7 1.0 CB A:VAL129 4.2 31.6 1.0 CB A:ASP127 4.3 33.1 1.0 OD2 A:ASP123 4.4 23.9 1.0 N A:ARG126 4.4 22.4 1.0 CG A:GLU131 4.4 24.3 1.0 N A:ASP125 4.5 23.1 1.0 CA A:ASP127 4.5 30.0 1.0 N A:GLY128 4.6 27.5 1.0 N A:VAL130 4.6 25.2 1.0 C A:ASP123 4.7 22.3 1.0 CB A:ASP125 4.7 27.4 1.0 CA A:VAL130 4.7 27.4 1.0 O A:HOH1157 4.7 40.8 1.0 C A:ASP125 4.7 25.0 1.0 C A:ASP127 4.7 34.4 1.0 CA A:GLU131 4.7 28.6 1.0 CA A:ASP125 4.8 20.7 1.0 C A:VAL130 4.8 28.1 1.0 N A:ALA124 4.8 17.9 1.0

D.J.Slade, P.Fang, C.J.Dreyton, Y.Zhang, J.Furhmann, D.Rempel, B.D.Bax, S.A.Coonrod, H.D.Lewis, M.Guo, M.L.Gross, P.R.Thompson. Protein Arginine Deiminase 2 Binds Calcium in An Ordered Fashion: Implications For Inhibitor Design. Acs Chem.Biol. 2015.
ISSN: ESSN 1554-8937
PubMed: 25621824
DOI: 10.1021/CB500933J