Chlorine in PDB 4ddb: Eval Processed Hewl, Cisplatin Dmso Paratone pH 6.5

All present enzymatic activity of Eval Processed Hewl, Cisplatin Dmso Paratone pH 6.5:
3.2.1.17;

The structure of Eval Processed Hewl, Cisplatin Dmso Paratone pH 6.5, PDB code: 4ddb was solved by S.W.Tanley, A.M.Schreurs, L.M.Kroon-Batenburg, J.Meredith, R.Prendergast, D.Walsh, P.Bryant, C.Levy, J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.16 / 3.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.641, 79.641, 37.018, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 28

The structure of Eval Processed Hewl, Cisplatin Dmso Paratone pH 6.5 also contains other interesting chemical elements:

Platinum

(Pt)

2 atoms

The binding sites of Chlorine atom in the Eval Processed Hewl, Cisplatin Dmso Paratone pH 6.5 (pdb code 4ddb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Eval Processed Hewl, Cisplatin Dmso Paratone pH 6.5, PDB code: 4ddb:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Eval Processed Hewl, Cisplatin Dmso Paratone pH 6.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Eval Processed Hewl, Cisplatin Dmso Paratone pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:85.6 occ:1.00 CL2 A:CPT201 0.0 85.6 1.0 PT1 A:CPT201 2.4 92.1 1.0 C1 A:DMS211 3.2 47.6 1.0 N1 A:CPT201 3.3 83.5 1.0 CL1 A:CPT201 3.3 73.7 1.0 NH1 A:ARG14 3.5 46.6 1.0 OD2 A:ASP87 3.6 26.8 1.0 C2 A:DMS211 3.9 45.2 1.0 CG A:ASP87 4.1 25.0 1.0 S A:DMS211 4.4 49.0 1.0 CB A:ASP87 4.4 24.7 1.0 CZ A:ARG14 4.7 46.4 1.0 CA A:ASP87 4.7 23.1 1.0 NE2 A:HIS15 4.7 34.6 1.0 OD1 A:ASP87 4.9 24.0 1.0

Chlorine binding site 2 out of 3 in the Eval Processed Hewl, Cisplatin Dmso Paratone pH 6.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Eval Processed Hewl, Cisplatin Dmso Paratone pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:73.7 occ:1.00 CL1 A:CPT201 0.0 73.7 1.0 PT1 A:CPT201 2.4 92.1 1.0 N A:ILE88 3.1 21.2 1.0 N1 A:CPT201 3.2 83.5 1.0 CL2 A:CPT201 3.3 85.6 1.0 CG1 A:ILE88 3.5 20.1 1.0 NE2 A:HIS15 3.6 34.6 1.0 CA A:ASP87 3.7 23.1 1.0 C A:ASP87 3.9 21.9 1.0 CG2 A:ILE88 4.0 19.5 1.0 CA A:ILE88 4.0 20.1 1.0 CB A:ILE88 4.1 19.5 1.0 CD2 A:HIS15 4.2 33.8 1.0 O A:SER86 4.2 21.0 1.0 C1 A:DMS211 4.2 47.6 1.0 CB A:ALA11 4.3 23.9 1.0 CG A:ASP87 4.3 25.0 1.0 OD1 A:ASP87 4.4 24.0 1.0 CB A:ASP87 4.5 24.7 1.0 CD1 A:ILE88 4.6 19.4 1.0 CZ A:PHE3 4.6 17.9 1.0 N A:THR89 4.7 21.5 1.0 CE1 A:HIS15 4.7 35.2 1.0 C A:ILE88 4.7 20.2 1.0 OD2 A:ASP87 4.8 26.8 1.0 N A:ASP87 4.8 22.4 1.0 CE2 A:PHE3 4.9 18.1 1.0 C A:SER86 4.9 21.3 1.0

Chlorine binding site 3 out of 3 in the Eval Processed Hewl, Cisplatin Dmso Paratone pH 6.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Eval Processed Hewl, Cisplatin Dmso Paratone pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:60.4 occ:1.00 CL1 A:CPT202 0.0 60.4 1.0 PT1 A:CPT202 2.4 65.8 1.0 N2 A:CPT202 3.1 59.1 1.0 N1 A:CPT202 3.2 59.5 1.0 O A:DMS209 3.9 48.8 1.0 S A:DMS209 4.3 50.0 1.0 C2 A:DMS209 4.4 46.6 1.0 O A:DMS211 4.6 44.8 1.0 ND1 A:HIS15 5.0 34.1 1.0

S.W.Tanley, A.M.Schreurs, L.M.Kroon-Batenburg, J.Meredith, R.Prendergast, D.Walsh, P.Bryant, C.Levy, J.R.Helliwell. Structural Studies of the Effect That Dimethyl Sulfoxide (Dmso) Has on Cisplatin and Carboplatin Binding to Histidine in A Protein. Acta Crystallogr.,Sect.D V. 68 601 2012.
ISSN: ISSN 0907-4449
PubMed: 22525758
DOI: 10.1107/S0907444912006907