Chlorine in PDB 4wdd: Catalytic Domain of Mouse 2',3'-Cyclic Nucleotide 3'- Phosphodiesterase, with Mutation T232A, Complexed with Citrate

All present enzymatic activity of Catalytic Domain of Mouse 2',3'-Cyclic Nucleotide 3'- Phosphodiesterase, with Mutation T232A, Complexed with Citrate:
3.1.4.37;

The structure of Catalytic Domain of Mouse 2',3'-Cyclic Nucleotide 3'- Phosphodiesterase, with Mutation T232A, Complexed with Citrate, PDB code: 4wdd 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)	19.86 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.230, 46.030, 106.680, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 27.1

The binding sites of Chlorine atom in the Catalytic Domain of Mouse 2',3'-Cyclic Nucleotide 3'- Phosphodiesterase, with Mutation T232A, Complexed with Citrate (pdb code 4wdd). 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 T232A, Complexed with Citrate, PDB code: 4wdd:
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 T232A, Complexed with Citrate


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 T232A, Complexed with Citrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:65.3 occ:1.00 O A:HOH552 2.5 56.0 1.0 HE A:ARG348 3.1 98.2 1.0 HG3 A:ARG348 3.4 91.7 1.0 HB1 A:ALA184 3.8 55.8 1.0 HB2 A:ALA184 3.9 55.8 1.0 NE A:ARG348 4.0 81.9 1.0 HB3 A:ARG348 4.0 89.2 1.0 HH11 A:ARG348 4.0 0.3 1.0 CG A:ARG348 4.2 76.4 1.0 CB A:ALA184 4.3 46.5 1.0 CB A:ARG348 4.5 74.4 1.0 HB3 A:MET367 4.6 59.0 1.0 HB2 A:ARG348 4.6 89.2 1.0 HD22 A:LEU363 4.6 58.3 1.0 CD A:ARG348 4.7 80.5 1.0 SD A:MET367 4.7 65.1 1.0 NH1 A:ARG348 4.7 86.9 1.0 O A:HOH551 4.8 44.9 1.0 CZ A:ARG348 4.8 86.9 1.0 HA A:ALA184 4.9 58.8 1.0 HB3 A:ALA184 5.0 55.8 1.0 HG2 A:ARG348 5.0 91.7 1.0

Chlorine binding site 2 out of 2 in the Catalytic Domain of Mouse 2',3'-Cyclic Nucleotide 3'- Phosphodiesterase, with Mutation T232A, Complexed with Citrate


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 T232A, Complexed with Citrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:63.0 occ:1.00 HZ1 A:LYS273 2.5 55.4 1.0 HG21 A:VAL318 3.1 43.1 1.0 NZ A:LYS273 3.3 46.2 1.0 HE2 A:LYS273 3.4 51.8 1.0 HD3 A:LYS273 3.5 50.0 1.0 HZ2 A:LYS273 3.6 55.4 1.0 HG23 A:VAL318 3.6 43.1 1.0 O A:ASP317 3.7 36.7 1.0 CG2 A:VAL318 3.8 35.9 1.0 CE A:LYS273 3.8 43.1 1.0 HA A:VAL318 3.8 36.8 1.0 HZ3 A:LYS273 4.0 55.4 1.0 CD A:LYS273 4.1 41.7 1.0 OD1 A:ASP317 4.2 44.1 1.0 OD2 A:ASP317 4.2 45.6 1.0 CG A:ASP317 4.3 40.3 1.0 C A:ASP317 4.4 35.5 1.0 HG22 A:VAL318 4.5 43.1 1.0 CA A:VAL318 4.5 30.7 1.0 HG2 A:LYS273 4.6 46.0 1.0 CB A:VAL318 4.7 34.5 1.0 HE3 A:LYS273 4.7 51.8 1.0 HG12 A:VAL318 4.8 38.5 1.0 HD2 A:LYS273 4.8 50.0 1.0 N A:VAL318 4.8 32.8 1.0 CG A:LYS273 5.0 38.4 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