Chlorine in PDB 4dd3: Eval Processed Hewl, Carboplatin Aqueous Paratone

All present enzymatic activity of Eval Processed Hewl, Carboplatin Aqueous Paratone:
3.2.1.17;

The structure of Eval Processed Hewl, Carboplatin Aqueous Paratone, PDB code: 4dd3 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)	24.84 / 1.70
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.540, 78.540, 37.367, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 23.5

The binding sites of Chlorine atom in the Eval Processed Hewl, Carboplatin Aqueous Paratone (pdb code 4dd3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Eval Processed Hewl, Carboplatin Aqueous Paratone, PDB code: 4dd3:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Eval Processed Hewl, Carboplatin Aqueous Paratone


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, Carboplatin Aqueous Paratone within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:21.6 occ:1.00 O A:HOH361 3.1 28.3 1.0 O A:HOH304 3.2 16.0 1.0 N A:THR69 3.2 19.4 1.0 O A:THR69 3.4 19.1 1.0 O A:HOH384 3.4 30.4 1.0 N A:ARG68 3.5 17.9 1.0 C A:GLY67 3.5 20.8 1.0 OG A:SER72 3.6 23.8 1.0 CA A:GLY67 3.6 20.7 1.0 OD1 A:ASN65 3.6 20.5 1.0 C A:THR69 3.7 21.7 1.0 N A:GLY67 3.7 19.6 1.0 CA A:THR69 3.9 20.0 1.0 O A:HOH326 3.9 18.5 1.0 O A:GLY67 4.1 22.3 1.0 CB A:THR69 4.2 20.1 1.0 C A:ARG68 4.2 20.5 1.0 CA A:ARG68 4.3 20.2 1.0 OD1 A:ASP66 4.3 15.8 1.0 N A:PRO70 4.5 24.0 1.0 O A:HOH386 4.7 12.7 1.0 C A:ASP66 4.8 16.2 1.0 CB A:SER72 4.8 23.9 1.0 OG1 A:THR69 4.8 18.2 1.0 CG A:ASN65 4.8 18.6 1.0 CA A:PRO70 4.9 25.9 1.0 O A:HOH352 4.9 23.6 0.5 N A:ASP66 5.0 15.1 1.0

Chlorine binding site 2 out of 4 in the Eval Processed Hewl, Carboplatin Aqueous Paratone


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, Carboplatin Aqueous Paratone within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:20.9 occ:1.00 ND2 A:ASN113 3.3 18.5 1.0 O A:HOH302 3.3 16.7 1.0 CB A:ASN113 3.6 18.9 1.0 CA A:ALA110 3.7 17.4 1.0 CG A:ASN113 4.0 18.8 1.0 N A:ALA110 4.1 19.2 1.0 O A:VAL109 4.2 19.1 1.0 CB A:ALA110 4.2 19.0 1.0 CG1 A:VAL109 4.2 24.2 1.0 CD A:ARG114 4.2 14.9 1.0 C A:VAL109 4.3 17.2 1.0 CG A:ARG114 4.4 15.2 1.0 C A:ALA110 4.8 17.4 1.0 O A:ALA110 4.9 17.8 1.0 CA A:ASN113 4.9 17.2 1.0

Chlorine binding site 3 out of 4 in the Eval Processed Hewl, Carboplatin Aqueous Paratone


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, Carboplatin Aqueous Paratone within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:33.4 occ:1.00 O A:HOH363 3.3 36.1 1.0 CE2 A:PHE38 3.7 16.0 1.0 CZ3 A:TRP123 4.0 18.3 1.0 NZ A:LYS33 4.1 25.2 1.0 CD A:ARG5 4.1 22.8 1.0 CB A:ARG5 4.2 22.8 1.0 CD A:LYS33 4.3 18.7 1.0 CZ A:PHE38 4.3 16.5 1.0 CE A:LYS33 4.4 20.2 1.0 CG A:ARG5 4.6 21.5 1.0 CD2 A:PHE38 4.7 16.2 1.0 NE A:ARG5 4.7 23.1 1.0 CE3 A:TRP123 4.8 19.0 1.0 CH2 A:TRP123 4.9 19.1 1.0

Chlorine binding site 4 out of 4 in the Eval Processed Hewl, Carboplatin Aqueous Paratone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Eval Processed Hewl, Carboplatin Aqueous Paratone within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:29.4 occ:1.00 O A:HOH334 3.3 26.0 1.0 N A:ILE88 3.3 20.2 1.0 O A:HOH385 3.4 31.9 1.0 CA A:ASP87 3.7 21.9 1.0 CG1 A:ILE88 3.8 17.9 1.0 NE2 A:HIS15 3.9 26.2 1.0 CG A:ASP87 3.9 28.6 1.0 C A:ASP87 4.0 18.6 1.0 OD2 A:ASP87 4.1 31.3 1.0 OD1 A:ASP87 4.1 23.9 1.0 O A:SER86 4.2 23.0 1.0 CB A:ALA11 4.3 15.7 1.0 CB A:ASP87 4.3 25.2 1.0 CG2 A:ILE88 4.3 20.0 1.0 CA A:ILE88 4.3 19.1 1.0 CB A:ILE88 4.4 17.1 1.0 CZ A:PHE3 4.4 19.4 1.0 CD2 A:HIS15 4.5 22.7 1.0 CD1 A:ILE88 4.7 16.7 1.0 N A:ASP87 4.8 21.0 1.0 CE1 A:HIS15 4.8 26.2 1.0 C A:SER86 4.9 22.9 1.0 CE2 A:PHE3 5.0 17.5 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