Chlorine in PDB 5v4i: Osmium(II)(Cymene)(Chlorido)2-Lysozyme Adduct with One Binding Site

All present enzymatic activity of Osmium(II)(Cymene)(Chlorido)2-Lysozyme Adduct with One Binding Site:
3.2.1.17;

The structure of Osmium(II)(Cymene)(Chlorido)2-Lysozyme Adduct with One Binding Site, PDB code: 5v4i was solved by M.P.Sullivan, C.G.Hartinger, D.C.Goldstone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	80.594, 80.594, 36.987, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 27.8

The structure of Osmium(II)(Cymene)(Chlorido)2-Lysozyme Adduct with One Binding Site also contains other interesting chemical elements:

Osmium	(Os)	1 atom
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Osmium(II)(Cymene)(Chlorido)2-Lysozyme Adduct with One Binding Site (pdb code 5v4i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Osmium(II)(Cymene)(Chlorido)2-Lysozyme Adduct with One Binding Site, PDB code: 5v4i:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Osmium(II)(Cymene)(Chlorido)2-Lysozyme Adduct with One Binding Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Osmium(II)(Cymene)(Chlorido)2-Lysozyme Adduct with One Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:30.5 occ:0.90 CL03 A:8WV202 0.0 30.5 0.9 OS02 A:8WV202 2.4 27.0 0.9 CL13 A:8WV202 3.2 28.0 0.9 NE2 A:HIS15 3.2 19.4 1.0 CD2 A:HIS15 3.3 17.9 1.0 C04 A:8WV202 3.3 26.7 0.9 C11 A:8WV202 3.4 27.3 0.9 CB A:ALA11 3.6 18.2 1.0 CA A:ALA11 3.7 18.3 1.0 C07 A:8WV202 4.0 26.4 0.9 O A:ALA11 4.0 18.7 1.0 C08 A:8WV202 4.0 28.9 0.9 C A:ALA11 4.3 16.7 1.0 C12 A:8WV202 4.4 31.0 0.9 CB A:ARG14 4.4 25.1 1.0 C05 A:8WV202 4.5 28.8 0.9 CE1 A:HIS15 4.5 20.5 1.0 C06 A:8WV202 4.5 27.4 0.9 CG A:HIS15 4.6 18.1 1.0 C01 A:8WV202 4.7 30.1 0.9 C09 A:8WV202 4.8 30.4 0.9 N A:ALA11 4.9 18.2 1.0

Chlorine binding site 2 out of 2 in the Osmium(II)(Cymene)(Chlorido)2-Lysozyme Adduct with One Binding Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Osmium(II)(Cymene)(Chlorido)2-Lysozyme Adduct with One Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:28.0 occ:0.90 CL13 A:8WV202 0.0 28.0 0.9 OS02 A:8WV202 2.4 27.0 0.9 NE2 A:HIS15 3.0 19.4 1.0 CL03 A:8WV202 3.2 30.5 0.9 N A:ILE88 3.3 13.7 1.0 C07 A:8WV202 3.3 26.4 0.9 C06 A:8WV202 3.4 27.4 0.9 C01 A:8WV202 3.5 30.1 0.9 CE1 A:HIS15 3.7 20.5 1.0 CG1 A:ILE88 3.8 16.4 1.0 CA A:ASP87 3.8 17.9 1.0 O A:HOH317 3.9 27.2 1.0 C04 A:8WV202 3.9 26.7 0.9 CD2 A:HIS15 3.9 17.9 1.0 C05 A:8WV202 4.0 28.8 0.9 C A:ASP87 4.0 17.9 1.0 OD1 A:ASP87 4.1 21.1 1.0 O A:SER86 4.3 20.9 1.0 CA A:ILE88 4.3 16.6 1.0 CB A:ILE88 4.4 17.2 1.0 CG A:ASP87 4.5 21.7 1.0 C11 A:8WV202 4.5 27.3 0.9 C08 A:8WV202 4.6 28.9 0.9 CG2 A:ILE88 4.6 17.6 1.0 CD1 A:ILE88 4.7 14.0 1.0 CB A:ASP87 4.7 19.8 1.0 ND1 A:HIS15 4.8 19.4 1.0 N A:ASP87 4.9 18.4 1.0 N A:THR89 4.9 17.0 1.0 CB A:ALA11 4.9 18.2 1.0 CG A:HIS15 4.9 18.1 1.0 C A:SER86 5.0 18.4 1.0

M.P.Sullivan, M.Groessl, S.M.Meier, R.L.Kingston, D.C.Goldstone, C.G.Hartinger. The Metalation of Hen Egg White Lysozyme Impacts Protein Stability As Shown By Ion Mobility Mass Spectrometry, Differential Scanning Calorimetry, and X-Ray Crystallography. Chem. Commun. (Camb.) V. 53 4246 2017.
ISSN: ESSN 1364-548X
PubMed: 28361137
DOI: 10.1039/C6CC10150J