Platinum in PDB 4ddc: Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil

All present enzymatic activity of Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil:
3.2.1.17;

The structure of Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil, PDB code: 4ddc 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)	19.17 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.949, 79.089, 36.984, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 25.3

The structure of Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

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

Platinum binding site 1 out of 4 in the Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil


Mono view


Stereo pair view

A full contact list of Platinum with other atoms in the Pt binding site number 1 of Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil within 5.0Å range: probe atom residue distance (Å) B Occ A:Pt201 b:64.9 occ:1.00 PT1 A:CPT201 0.0 64.9 1.0 NE2 A:HIS15 1.9 31.2 1.0 CL2 A:CPT201 2.4 52.6 1.0 CL1 A:CPT201 2.5 42.5 1.0 CE1 A:HIS15 2.8 29.6 1.0 NH1 A:ARG14 3.0 44.2 1.0 CD2 A:HIS15 3.0 29.2 1.0 CZ A:ARG14 3.8 43.9 1.0 ND1 A:HIS15 3.9 30.6 1.0 CG A:HIS15 4.1 29.0 1.0 CD A:ARG14 4.3 42.2 1.0 NE A:ARG14 4.3 47.9 1.0 OD1 A:ASP87 4.5 26.6 1.0 NH2 A:ARG14 4.6 41.2 1.0 OD2 A:ASP87 4.6 35.1 1.0 CG1 A:ILE88 4.7 20.8 1.0 CG A:ASP87 4.7 28.2 1.0 OG1 A:THR89 4.8 20.6 1.0 N A:ILE88 4.9 20.4 1.0 CB A:ALA11 4.9 19.7 1.0 O A:ALA11 5.0 21.4 1.0

Platinum binding site 2 out of 4 in the Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil


Mono view


Stereo pair view

A full contact list of Platinum with other atoms in the Pt binding site number 2 of Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil within 5.0Å range: probe atom residue distance (Å) B Occ A:Pt202 b:0.5 occ:1.00 PT1 A:CPT202 0.0 0.5 1.0 CL2 A:CPT202 2.5 64.9 1.0 ND1 A:HIS15 2.8 30.6 1.0 CE1 A:HIS15 3.4 29.6 1.0 CG A:HIS15 3.5 29.0 1.0 CB A:HIS15 3.8 29.1 1.0 CA A:HIS15 3.9 28.4 1.0 NE2 A:HIS15 4.3 31.2 1.0 CD2 A:HIS15 4.4 29.2 1.0 CG2 A:THR89 4.4 20.0 1.0 OG1 A:THR89 4.4 20.6 1.0 O A:HIS15 4.5 23.1 1.0 C A:HIS15 4.7 25.7 1.0 O A:ARG14 4.9 26.6 1.0 CB A:THR89 4.9 19.8 1.0 N A:HIS15 4.9 29.0 1.0

Platinum binding site 3 out of 4 in the Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil


Mono view


Stereo pair view

A full contact list of Platinum with other atoms in the Pt binding site number 3 of Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil within 5.0Å range: probe atom residue distance (Å) B Occ B:Pt201 b:73.5 occ:1.00 PT1 B:CPT201 0.0 73.5 1.0 CL2 B:CPT201 2.5 47.9 1.0 ND1 B:HIS15 2.8 29.2 1.0 CG B:HIS15 3.4 24.7 1.0 CB B:HIS15 3.5 24.0 1.0 CA B:HIS15 3.6 20.6 1.0 CE1 B:HIS15 3.7 26.9 1.0 O B:HOH340 3.8 26.5 1.0 O B:HIS15 4.2 20.0 1.0 CG2 B:THR89 4.3 21.5 1.0 C B:HIS15 4.3 18.4 1.0 CD2 B:HIS15 4.4 27.1 1.0 NE2 B:HIS15 4.5 26.4 1.0 OG1 B:THR89 4.6 22.9 1.0 N B:HIS15 4.7 21.8 1.0 O B:ARG14 4.7 22.2 1.0 NH2 B:ARG14 4.7 36.6 1.0 CB B:THR89 4.9 20.3 1.0

Platinum binding site 4 out of 4 in the Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil


Mono view


Stereo pair view

A full contact list of Platinum with other atoms in the Pt binding site number 4 of Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil within 5.0Å range: probe atom residue distance (Å) B Occ B:Pt202 b:58.6 occ:1.00 PT1 B:CPT202 0.0 58.6 1.0 NE2 B:HIS15 2.3 26.4 1.0 CL2 B:CPT202 2.4 40.4 1.0 CE1 B:HIS15 3.1 26.9 1.0 NH1 B:ARG14 3.1 35.5 1.0 CD2 B:HIS15 3.4 27.1 1.0 CZ B:ARG14 4.1 37.1 1.0 ND1 B:HIS15 4.3 29.2 1.0 OD2 B:ASP87 4.4 26.2 1.0 CD B:ARG14 4.4 33.9 1.0 CG B:HIS15 4.5 24.7 1.0 OD1 B:ASP87 4.5 23.6 1.0 CG B:ASP87 4.6 27.2 1.0 NE B:ARG14 4.6 36.5 1.0 CB B:ALA11 4.7 18.0 1.0 N B:ILE88 4.9 20.1 1.0 NH2 B:ARG14 5.0 36.6 1.0 CG1 B:ILE88 5.0 18.6 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