Chlorine in PDB 4wcc: Catalytic Domain of Mouse 2',3'-Cyclic Nucleotide 3'- Phosphodiesterase, with Mutation P225G

All present enzymatic activity of Catalytic Domain of Mouse 2',3'-Cyclic Nucleotide 3'- Phosphodiesterase, with Mutation P225G:
3.1.4.37;

The structure of Catalytic Domain of Mouse 2',3'-Cyclic Nucleotide 3'- Phosphodiesterase, with Mutation P225G, PDB code: 4wcc was solved by M.Myllykoski, A.Raasakka, P.Kursula, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.00 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.790, 46.510, 106.280, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 26.8

The binding sites of Chlorine atom in the Catalytic Domain of Mouse 2',3'-Cyclic Nucleotide 3'- Phosphodiesterase, with Mutation P225G (pdb code 4wcc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Catalytic Domain of Mouse 2',3'-Cyclic Nucleotide 3'- Phosphodiesterase, with Mutation P225G, PDB code: 4wcc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Catalytic Domain of Mouse 2',3'-Cyclic Nucleotide 3'- Phosphodiesterase, with Mutation P225G


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Catalytic Domain of Mouse 2',3'-Cyclic Nucleotide 3'- Phosphodiesterase, with Mutation P225G within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:70.6 occ:1.00 H A:GLY305 2.9 71.4 1.0 HE1 A:TRP289 3.2 67.0 1.0 HB2 A:ARG307 3.3 67.1 1.0 H A:ARG307 3.3 64.6 1.0 HA A:PRO304 3.3 79.3 1.0 HG A:SER299 3.4 88.0 1.0 HB3 A:ARG307 3.6 67.1 1.0 HD21 A:LEU328 3.7 68.9 1.0 N A:GLY305 3.7 59.5 1.0 H A:SER306 3.7 70.9 1.0 HZ2 A:TRP289 3.9 60.9 1.0 CB A:ARG307 3.9 55.9 1.0 NE1 A:TRP289 3.9 55.8 1.0 OG A:SER299 4.0 73.3 1.0 N A:ARG307 4.1 53.8 1.0 CA A:PRO304 4.2 66.1 1.0 HB2 A:SER306 4.2 71.2 1.0 N A:SER306 4.2 59.1 1.0 C A:PRO304 4.4 61.5 1.0 HD2 A:ARG307 4.4 73.9 1.0 CZ2 A:TRP289 4.5 50.7 1.0 HD11 A:LEU328 4.5 67.4 1.0 HA2 A:GLY305 4.5 67.6 1.0 CA A:GLY305 4.5 56.3 1.0 CD2 A:LEU328 4.5 57.4 1.0 CE2 A:TRP289 4.5 52.3 1.0 HD22 A:LEU328 4.6 68.9 1.0 CA A:ARG307 4.6 51.8 1.0 O A:PRO303 4.7 68.8 1.0 C A:GLY305 4.7 55.0 1.0 HB3 A:PRO304 4.7 82.6 1.0 HD3 A:ARG307 4.7 73.9 1.0 CD A:ARG307 4.9 61.6 1.0 CD1 A:TRP289 5.0 56.7 1.0 CA A:SER306 5.0 57.9 1.0 CB A:SER306 5.0 59.3 1.0

Chlorine binding site 2 out of 2 in the Catalytic Domain of Mouse 2',3'-Cyclic Nucleotide 3'- Phosphodiesterase, with Mutation P225G


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Catalytic Domain of Mouse 2',3'-Cyclic Nucleotide 3'- Phosphodiesterase, with Mutation P225G within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:79.7 occ:1.00 O A:HOH504 3.2 43.6 1.0 H8 A:2AM401 3.3 61.5 0.7 O A:HOH505 3.5 58.4 1.0 HG22 A:THR232 3.6 44.3 1.0 O A:THR233 3.7 39.5 1.0 HD3 A:ARG307 3.7 73.9 1.0 HG21 A:THR232 4.1 44.3 1.0 HH2 A:TRP289 4.1 57.8 1.0 NE A:ARG307 4.1 62.9 1.0 HE A:ARG307 4.2 75.4 1.0 C8 A:2AM401 4.2 51.2 0.7 HB A:THR232 4.2 43.6 1.0 CG2 A:THR232 4.3 36.9 1.0 CD A:ARG307 4.4 61.6 1.0 O A:THR232 4.4 37.9 1.0 HG2 A:ARG307 4.4 68.8 1.0 CZ A:ARG307 4.5 65.8 1.0 C A:THR233 4.5 38.2 1.0 CH2 A:TRP289 4.5 48.1 1.0 N7 A:2AM401 4.6 51.9 0.7 HZ2 A:TRP289 4.7 60.9 1.0 HE1 A:HIS309 4.7 49.8 1.0 H A:PHE235 4.7 48.1 1.0 HA A:LYS234 4.7 48.8 1.0 CB A:THR232 4.8 36.4 1.0 CZ2 A:TRP289 4.8 50.7 1.0 C A:THR232 4.8 38.1 1.0 NH1 A:ARG307 4.8 65.5 1.0 HH12 A:ARG307 4.9 78.7 1.0 NH2 A:ARG307 4.9 68.9 1.0 HB2 A:PHE235 5.0 49.9 1.0 CG A:ARG307 5.0 57.3 1.0 HH21 A:ARG307 5.0 82.7 1.0

A.Raasakka, M.Myllykoski, S.Laulumaa, M.Lehtimaki, M.Hartlein, M.Moulin, I.Kursula, P.Kursula. Determinants of Ligand Binding and Catalytic Activity in the Myelin Enzyme 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase. Sci Rep V. 5 16520 2015.
ISSN: ESSN 2045-2322
PubMed: 26563764
DOI: 10.1038/SREP16520