Calcium in PDB 3rl5: Rat Metallophosphodiesterase MPPED2 H67R Mutant

The structure of Rat Metallophosphodiesterase MPPED2 H67R Mutant, PDB code: 3rl5 was solved by M.Podobnik, U.Dermol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.75 / 1.26
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.622, 69.848, 47.182, 90.00, 103.52, 90.00
R / Rfree (%)	15.2 / 17.4

The binding sites of Calcium atom in the Rat Metallophosphodiesterase MPPED2 H67R Mutant (pdb code 3rl5). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Rat Metallophosphodiesterase MPPED2 H67R Mutant, PDB code: 3rl5:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Rat Metallophosphodiesterase MPPED2 H67R Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Rat Metallophosphodiesterase MPPED2 H67R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca666 b:15.6 occ:0.70 O A:GLU147 2.3 20.3 1.0 OD1 A:ASP150 2.4 20.5 1.0 O A:HOH475 2.4 31.5 1.0 OE2 A:GLU147 2.4 17.7 0.4 OD1 A:ASN151 2.6 27.6 1.0 CD A:GLU147 3.3 18.7 0.4 CG A:ASN151 3.4 25.4 1.0 C A:GLU147 3.4 19.9 1.0 CG A:ASP150 3.5 19.3 1.0 CG A:GLU147 3.7 19.3 0.4 OD2 A:ASP150 3.9 20.9 1.0 ND2 A:ASN151 4.0 23.9 1.0 CA A:GLU147 4.1 19.8 1.0 CB A:ASN151 4.2 23.0 1.0 OE1 A:GLU147 4.3 17.0 0.4 N A:ASN151 4.3 19.4 1.0 N A:ASP148 4.5 19.6 1.0 CB A:GLU147 4.5 20.3 1.0 N A:ASP150 4.7 18.0 1.0 CA A:ASP148 4.7 19.9 1.0 C A:ASP148 4.7 19.1 1.0 O A:HOH549 4.8 22.6 0.5 CB A:ASP150 4.8 18.9 1.0 CA A:ASN151 4.9 21.8 1.0 O A:ASP148 5.0 20.1 1.0 O A:HOH548 5.0 47.1 1.0

Calcium binding site 2 out of 2 in the Rat Metallophosphodiesterase MPPED2 H67R Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Rat Metallophosphodiesterase MPPED2 H67R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca888 b:14.1 occ:0.40 SG A:CYS273 1.9 17.8 1.0 O A:HOH570 2.9 29.3 1.0 CB A:CYS273 3.0 16.1 1.0 O A:PHE277 3.3 20.4 1.0 C A:PHE277 3.4 19.7 1.0 C A:GLN278 3.4 16.0 1.0 N A:PRO279 3.5 15.6 1.0 N A:GLN278 3.5 18.4 1.0 CA A:GLN278 3.6 17.3 1.0 CA A:CYS273 3.8 14.8 1.0 CD A:PRO279 3.8 16.0 1.0 O A:GLN278 3.9 15.8 1.0 CG A:ARG69 4.0 15.9 1.0 CA A:PRO279 4.0 15.4 1.0 CA A:PHE277 4.1 20.9 1.0 CB A:PRO279 4.2 16.0 1.0 NH1 A:ARG69 4.2 18.6 1.0 CB A:ARG69 4.3 15.3 1.0 CG A:PRO279 4.6 16.7 1.0 O A:THR66 4.6 12.8 1.0 N A:CYS273 4.8 13.6 1.0 O A:HOH385 4.8 15.9 0.5 O A:HOH365 4.8 15.2 0.5 C A:CYS273 4.9 14.6 1.0 O A:ASP65 4.9 12.4 1.0 N A:THR274 4.9 16.4 1.0 CZ A:ARG69 4.9 17.2 1.0 CB A:ARG67 4.9 15.0 1.0

U.Dermol, V.Janardan, R.Tyagi, S.S.Visweswariah, M.Podobnik. Unique Utilization of A Phosphoprotein Phosphatase Fold By A Mammalian Phosphodiesterase Associated with Wagr Syndrome. J.Mol.Biol. V. 412 481 2011.
ISSN: ISSN 0022-2836
PubMed: 21824479
DOI: 10.1016/J.JMB.2011.07.060