Platinum in PDB 4owa: Carboplatin Binding to Hewl Under Sodium Iodide Crystallisation Conditions

All present enzymatic activity of Carboplatin Binding to Hewl Under Sodium Iodide Crystallisation Conditions:
3.2.1.17;

The structure of Carboplatin Binding to Hewl Under Sodium Iodide Crystallisation Conditions, PDB code: 4owa was solved by S.W.M.Tanley, J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.07 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	27.138, 62.561, 58.130, 90.00, 92.59, 90.00
R / Rfree (%)	18.4 / 24.1

The structure of Carboplatin Binding to Hewl Under Sodium Iodide Crystallisation Conditions also contains other interesting chemical elements:

Iodine

(I)

32 atoms

The binding sites of Platinum atom in the Carboplatin Binding to Hewl Under Sodium Iodide Crystallisation Conditions (pdb code 4owa). This binding sites where shown within 5.0 Angstroms radius around Platinum atom.
In total 3 binding sites of Platinum where determined in the Carboplatin Binding to Hewl Under Sodium Iodide Crystallisation Conditions, PDB code: 4owa:
Jump to Platinum binding site number: 1; 2; 3;

Platinum binding site 1 out of 3 in the Carboplatin Binding to Hewl Under Sodium Iodide Crystallisation Conditions


Mono view


Stereo pair view

A full contact list of Platinum with other atoms in the Pt binding site number 1 of Carboplatin Binding to Hewl Under Sodium Iodide Crystallisation Conditions within 5.0Å range: probe atom residue distance (Å) B Occ A:Pt220 b:13.0 occ:0.68 PT1 A:QPT220 0.0 13.0 0.7 O1 A:QPT220 2.0 14.1 1.0 I A:IOD209 2.5 17.0 0.8 I A:IOD208 2.7 12.4 0.7 I B:IOD204 2.7 20.7 0.7 C1 A:QPT220 3.0 18.7 1.0 O4 A:QPT220 3.8 22.1 1.0 O A:HOH311 4.6 10.7 1.0 CB A:ASN106 4.9 12.5 1.0 CD A:ARG112 4.9 20.8 0.6

Platinum binding site 2 out of 3 in the Carboplatin Binding to Hewl Under Sodium Iodide Crystallisation Conditions


Mono view


Stereo pair view

A full contact list of Platinum with other atoms in the Pt binding site number 2 of Carboplatin Binding to Hewl Under Sodium Iodide Crystallisation Conditions within 5.0Å range: probe atom residue distance (Å) B Occ A:Pt221 b:14.1 occ:0.77 PT1 A:QPT221 0.0 14.1 0.8 O1 A:QPT221 2.0 11.9 1.0 ND1 A:HIS15 2.1 12.2 0.8 I A:IOD212 2.6 12.1 0.7 I A:IOD213 2.7 20.6 0.9 CG A:HIS15 3.0 12.2 1.0 CE1 A:HIS15 3.1 13.5 1.0 C1 A:QPT221 3.1 11.7 1.0 CB A:HIS15 3.4 11.5 1.0 CA A:HIS15 3.6 11.9 1.0 O A:HIS15 4.1 12.9 1.0 NE2 A:HIS15 4.2 12.7 0.8 CD2 A:HIS15 4.2 12.4 1.0 C A:HIS15 4.3 12.2 1.0 NZ A:LYS96 4.6 9.6 1.0 N A:HIS15 4.7 11.8 1.0 CG2 A:THR89 4.9 11.1 1.0

Platinum binding site 3 out of 3 in the Carboplatin Binding to Hewl Under Sodium Iodide Crystallisation Conditions


Mono view


Stereo pair view

A full contact list of Platinum with other atoms in the Pt binding site number 3 of Carboplatin Binding to Hewl Under Sodium Iodide Crystallisation Conditions within 5.0Å range: probe atom residue distance (Å) B Occ B:Pt214 b:8.1 occ:0.68 PT1 B:QPT214 0.0 8.1 0.7 O1 B:QPT214 1.9 7.4 0.4 I B:IOD212 2.0 49.7 0.6 ND1 B:HIS15 2.0 14.1 0.4 I B:IOD209 2.6 13.3 0.8 I B:IOD208 2.6 9.9 0.7 C1 B:QPT214 2.9 7.4 0.4 CG B:HIS15 2.9 14.3 1.0 CE1 B:HIS15 3.0 15.0 1.0 CB B:HIS15 3.2 13.9 1.0 CA B:HIS15 3.5 14.8 1.0 O B:HIS15 4.0 14.5 1.0 CD2 B:HIS15 4.1 14.5 1.0 NE2 B:HIS15 4.1 13.9 0.8 C B:HIS15 4.2 14.0 1.0 NZ B:LYS96 4.5 11.0 1.0 OD1 B:ASN93 4.6 21.8 1.0 N B:HIS15 4.7 15.2 1.0

S.W.Tanley, J.R.Helliwell. Chemical Conversion of Cisplatin and Carboplatin with Histidine in A Model Protein Crystallized Under Sodium Iodide Conditions. Acta Crystallogr.,Sect.F V. 70 1127 2014.
ISSN: ESSN 2053-230X
PubMed: 25195879
DOI: 10.1107/S2053230X14013995