Chlorine in PDB 5hmv: Re Refinement of 4MWK.

All present enzymatic activity of Re Refinement of 4MWK.:
3.2.1.17;

The structure of Re Refinement of 4MWK., PDB code: 5hmv was solved by J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.28 / 0.98
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	26.998, 31.807, 34.072, 89.08, 72.00, 67.81
R / Rfree (%)	12.4 / 14.7

The structure of Re Refinement of 4MWK. also contains other interesting chemical elements:

Platinum

(Pt)

7 atoms

The binding sites of Chlorine atom in the Re Refinement of 4MWK. (pdb code 5hmv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Re Refinement of 4MWK., PDB code: 5hmv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Re Refinement of 4MWK.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Re Refinement of 4MWK. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl217 b:6.2 occ:0.22 PT A:PT207 2.3 12.8 0.2 PT A:PT218 2.8 0.4 0.6 CL A:CL219 3.3 6.8 0.2 PT A:PT208 3.3 13.9 0.2 NE A:ARG14 3.7 11.3 1.0 CD A:ARG14 3.9 11.1 1.0 PT A:PT209 4.0 12.7 0.1 NE2 A:HIS15 4.4 30.0 1.0 CZ A:ARG14 4.7 10.6 1.0 NH2 A:ARG14 5.0 12.4 1.0

Chlorine binding site 2 out of 2 in the Re Refinement of 4MWK.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Re Refinement of 4MWK. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl219 b:6.8 occ:0.22 PT A:PT218 2.2 0.4 0.6 PT A:PT207 2.3 12.8 0.2 CL A:CL217 3.3 6.2 0.2 NE2 A:HIS15 3.3 30.0 1.0 CD2 A:HIS15 3.4 26.0 1.0 PT A:PT209 3.4 12.7 0.1 O A:ARG14 4.0 9.9 1.0 O A:HOH381 4.0 14.6 1.0 CB A:ARG14 4.1 9.2 1.0 O A:HOH439 4.1 13.2 1.0 PT A:PT211 4.2 19.4 0.1 CD A:ARG14 4.5 11.1 1.0 C A:ARG14 4.6 7.5 1.0 CE1 A:HIS15 4.6 31.0 1.0 PT A:PT208 4.7 13.9 0.2 CG A:HIS15 4.7 22.1 1.0 O A:HOH451 4.8 10.9 1.0 CG A:ARG14 4.9 10.6 1.0 NE A:ARG14 4.9 11.3 1.0 CA A:ARG14 5.0 7.5 1.0

S.W.Tanley, J.R.Helliwell. Comment on "Structural Dynamics of Cisplatin Binding to Histidine in A Protein" [Struct. Dyn. 1, 034701 (2014)]. Struct Dyn V. 3 37101 2016.
ISSN: ESSN 2329-7778
PubMed: 27226979
DOI: 10.1063/1.4948613