Chlorine in PDB 3rl3: Rat Metallophosphodiesterase MPPED2

The structure of Rat Metallophosphodiesterase MPPED2, PDB code: 3rl3 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)	47.67 / 1.42
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	97.887, 69.752, 46.984, 90.00, 103.14, 90.00
R / Rfree (%)	16 / 18.7

The structure of Rat Metallophosphodiesterase MPPED2 also contains other interesting chemical elements:

Manganese

(Mn)

9 atoms

The binding sites of Chlorine atom in the Rat Metallophosphodiesterase MPPED2 (pdb code 3rl3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Rat Metallophosphodiesterase MPPED2, PDB code: 3rl3:

Chlorine binding site 1 out of 1 in the Rat Metallophosphodiesterase MPPED2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Rat Metallophosphodiesterase MPPED2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl800 b:20.2 occ:0.90 O A:HOH345 3.1 23.5 1.0 NH1 A:ARG229 3.2 16.8 1.0 N A:ARG220 3.3 12.6 1.0 NH1 A:ARG220 3.5 20.5 1.0 CA A:ARG220 3.6 12.9 1.0 CD A:ARG220 3.8 17.1 1.0 NH2 A:ARG229 4.0 18.8 1.0 CZ A:ARG229 4.0 18.0 1.0 SD A:MET260 4.1 19.1 1.0 CZ A:ARG220 4.3 19.2 1.0 N A:ASP221 4.3 13.0 1.0 NE A:ARG220 4.3 19.1 1.0 O A:GLY218 4.4 14.4 1.0 C A:ARG220 4.4 12.7 1.0 C A:PHE219 4.5 12.2 1.0 CB A:ARG220 4.7 13.8 1.0 CG A:ARG220 4.7 14.5 1.0 CB A:TRP222 4.8 18.1 1.0 CA A:PHE219 4.8 12.2 1.0 OD1 A:ASP221 4.8 13.2 1.0 N A:TRP222 4.9 15.1 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