Chlorine in PDB 2w4l: Human Dcmp Deaminase

All present enzymatic activity of Human Dcmp Deaminase:
3.5.4.12;

The structure of Human Dcmp Deaminase, PDB code: 2w4l was solved by M.I.Siponen, M.Moche, C.H.Arrowsmith, H.Berglund, C.Bountra, R.Collins, L.G.Dahlgren, A.M.Edwards, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, A.Johansson, I.Johansson, T.Karlberg, T.Kotenyova, L.Lehtio, M.E.Nilsson, T.Nyman, C.Persson, J.Sagemark, H.Schuler, A.G.Thorsell, L.Tresaugues, S.Van Den Berg, J.Weigelt, M.Welin, M.Wikstrom, M.Wisniewska, P.Nordlund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.70 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.230, 80.070, 96.240, 90.00, 94.34, 90.00
R / Rfree (%)	20 / 24.3

The structure of Human Dcmp Deaminase also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Chlorine atom in the Human Dcmp Deaminase (pdb code 2w4l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Human Dcmp Deaminase, PDB code: 2w4l:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Human Dcmp Deaminase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Dcmp Deaminase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1171 b:61.0 occ:1.00 O A:HOH2040 3.5 41.0 1.0 CA A:TYR132 3.7 28.6 1.0 CD1 A:TYR132 3.9 29.7 1.0 N A:SER135 4.0 29.6 1.0 CB A:TYR132 4.0 29.0 1.0 C A:TYR132 4.0 28.5 1.0 O A:TYR132 4.1 28.4 1.0 CB A:SER135 4.3 29.7 0.5 CB A:SER135 4.3 29.5 0.5 O A:LYS131 4.4 27.9 1.0 CA A:SER135 4.4 29.7 0.5 CA A:SER135 4.4 29.5 0.5 CG A:TYR132 4.5 29.3 1.0 N A:ASP134 4.5 29.1 1.0 C A:ASP134 4.5 29.6 1.0 CB A:ASP134 4.6 30.1 1.0 CA A:ASP134 4.8 29.7 1.0 N A:TYR132 4.8 28.4 1.0 N A:HIS133 4.8 28.2 1.0 OG A:SER135 4.9 30.1 0.5

Chlorine binding site 2 out of 4 in the Human Dcmp Deaminase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Dcmp Deaminase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1172 b:38.2 occ:1.00 CE B:LYS74 3.5 44.9 1.0 N A:GLU137 3.8 29.2 1.0 C A:ASP136 3.8 29.7 1.0 CA A:GLU137 3.9 29.3 1.0 O A:ASP136 3.9 29.9 1.0 CB A:ASP136 3.9 30.5 1.0 OD1 A:ASN111 3.9 22.0 1.0 ND2 A:ASN111 3.9 22.1 1.0 CB B:PRO80 4.0 25.5 1.0 CG A:ASN111 4.0 19.3 1.0 CG A:GLU137 4.2 30.8 1.0 CG B:PRO80 4.3 25.9 1.0 CB A:ALA140 4.3 23.7 1.0 CD B:LYS74 4.5 44.6 1.0 CD1 B:LEU75 4.5 40.1 1.0 CA A:ASP136 4.5 30.0 1.0 CG B:LYS74 4.5 44.0 1.0 NZ B:LYS74 4.6 45.2 1.0 CB A:GLU137 4.6 29.6 1.0 CD A:GLU137 4.7 33.0 1.0 CA B:PRO80 4.7 25.7 1.0 O B:HOH2014 4.9 49.5 1.0 CB A:ASN111 5.0 18.6 1.0

Chlorine binding site 3 out of 4 in the Human Dcmp Deaminase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human Dcmp Deaminase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1172 b:39.1 occ:1.00 CB A:PRO80 3.7 19.9 1.0 ND2 B:ASN111 3.8 21.2 1.0 CG A:PRO80 3.9 20.4 1.0 CD A:LYS74 3.9 35.3 1.0 CB B:ASP136 3.9 25.2 1.0 N B:GLU137 3.9 23.3 1.0 C B:ASP136 4.0 24.4 1.0 O B:ASP136 4.0 23.4 1.0 CA B:GLU137 4.0 23.2 1.0 OD1 B:ASN111 4.1 20.7 1.0 CG B:ASN111 4.1 20.2 1.0 CG B:GLU137 4.2 25.0 1.0 CA A:PRO80 4.3 20.1 1.0 CD1 A:LEU75 4.4 30.7 1.0 CD B:GLU137 4.4 27.1 1.0 OE2 B:GLU137 4.6 29.8 1.0 CA B:ASP136 4.7 25.0 1.0 CB B:ALA140 4.7 18.3 1.0 CB B:GLU137 4.7 23.4 1.0 NZ A:LYS74 4.8 37.2 1.0 CE A:LYS74 4.8 36.0 1.0 O B:HOH2021 4.8 30.9 1.0 CG A:LYS74 4.9 35.1 1.0 OE1 B:GLU137 5.0 28.9 1.0

Chlorine binding site 4 out of 4 in the Human Dcmp Deaminase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Human Dcmp Deaminase within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl1175 b:52.0 occ:1.00 CE F:LYS74 3.5 34.4 1.0 CD1 F:LEU75 3.6 28.3 1.0 CB F:PRO80 3.8 21.6 1.0 N E:GLU137 3.8 30.7 1.0 C E:ASP136 3.8 31.8 1.0 O E:ASP136 3.9 31.6 1.0 CG F:PRO80 3.9 21.4 1.0 NZ F:LYS74 3.9 35.7 1.0 CA E:GLU137 3.9 30.1 1.0 CB E:ASP136 4.0 33.0 1.0 CG E:GLU137 4.2 33.0 1.0 ND2 E:ASN111 4.3 18.6 1.0 CB E:ALA140 4.5 19.4 1.0 OD1 E:ASN111 4.5 19.0 1.0 CG E:ASN111 4.6 18.8 1.0 CA E:ASP136 4.6 32.6 1.0 CB E:GLU137 4.7 30.7 1.0 CA F:PRO80 4.7 21.6 1.0 CD F:LYS74 4.7 33.3 1.0 CD E:GLU137 4.7 36.6 1.0 CG F:LYS74 4.9 32.9 1.0

M.I.Siponen, M.Moche, C.H.Arrowsmith, H.Berglund, C.Bountra, R.Collins, L.G.Dahlgren, A.M.Edwards, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, A.Johansson, I.Johansson, T.Karlberg, T.Kotenyova, L.Lehtio, M.E.Nilsson, T.Nyman, C.Persson, J.Sagemark, H.Schuler, A.G.Thorsell, L.Tresaugues, S.Van Den Berg, J.Weigelt, M.Welin, M.Wikstrom, M.Wisniewska, P.Nordlund. The Crystal Structure of Human Dcmp Deaminase To Be Published.