Chlorine in PDB 4uwn: Lysozyme Soaked with A Ruthenium Based Corm with A Methione Oxide Ligand (Complex 6B)

All present enzymatic activity of Lysozyme Soaked with A Ruthenium Based Corm with A Methione Oxide Ligand (Complex 6B):
3.2.1.17;

The structure of Lysozyme Soaked with A Ruthenium Based Corm with A Methione Oxide Ligand (Complex 6B), PDB code: 4uwn was solved by M.F.A.Santos, A.Mukhopadhyay, M.J.Romao, C.C.Romao, T.Santos-Silva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.52 / 1.67
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.930, 79.930, 36.890, 90.00, 90.00, 90.00
R / Rfree (%)	16.575 / 21.153

The structure of Lysozyme Soaked with A Ruthenium Based Corm with A Methione Oxide Ligand (Complex 6B) also contains other interesting chemical elements:

Ruthenium	(Ru)	4 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Lysozyme Soaked with A Ruthenium Based Corm with A Methione Oxide Ligand (Complex 6B) (pdb code 4uwn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Lysozyme Soaked with A Ruthenium Based Corm with A Methione Oxide Ligand (Complex 6B), PDB code: 4uwn:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Lysozyme Soaked with A Ruthenium Based Corm with A Methione Oxide Ligand (Complex 6B)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lysozyme Soaked with A Ruthenium Based Corm with A Methione Oxide Ligand (Complex 6B) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1130 b:24.0 occ:1.00 OH A:TYR23 2.9 18.9 1.0 O A:HOH2025 3.0 43.3 1.0 CZ A:TYR23 3.7 17.7 1.0 CE1 A:TYR23 3.7 18.5 1.0 CA A:GLY104 4.2 19.2 1.0 O A:ARG21 4.6 25.6 1.0 N A:GLY104 4.8 21.2 1.0 CE2 A:TYR23 4.8 17.3 1.0 CD1 A:TYR23 4.9 18.0 1.0 O A:HOH2026 5.0 34.6 1.0

Chlorine binding site 2 out of 2 in the Lysozyme Soaked with A Ruthenium Based Corm with A Methione Oxide Ligand (Complex 6B)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Lysozyme Soaked with A Ruthenium Based Corm with A Methione Oxide Ligand (Complex 6B) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1140 b:22.4 occ:1.00 O A:HOH2079 3.1 31.0 1.0 O A:HOH2076 3.1 17.8 1.0 O A:HOH2086 3.1 31.4 1.0 O A:HOH2087 3.1 29.6 1.0 N A:THR69 3.3 19.5 1.0 O A:THR69 3.3 20.6 1.0 N A:ARG68 3.5 19.6 1.0 C A:GLY67 3.5 21.0 1.0 CA A:GLY67 3.5 20.2 1.0 N A:GLY67 3.6 18.6 1.0 OD1 A:ASN65 3.6 21.2 1.0 OG A:SER72 3.6 20.9 1.0 C A:THR69 3.7 20.6 1.0 CA A:THR69 3.9 18.4 1.0 O A:HOH2080 4.0 18.5 1.0 O A:GLY67 4.2 22.0 1.0 OD1 A:ASP66 4.2 16.4 1.0 CB A:THR69 4.3 17.7 1.0 C A:ARG68 4.3 21.7 1.0 CA A:ARG68 4.4 21.9 1.0 N A:PRO70 4.5 22.4 1.0 O A:HOH2028 4.7 30.3 1.0 NA A:NA1131 4.7 18.6 1.0 C A:ASP66 4.7 17.0 1.0 CG A:ASN65 4.8 19.1 1.0 O A:HOH2088 4.8 27.6 0.5 N A:ASP66 4.9 15.7 1.0 OG1 A:THR69 4.9 15.8 1.0 CA A:PRO70 4.9 24.9 1.0 CB A:SER72 4.9 21.6 1.0 O A:HOH2083 4.9 39.3 1.0

J.Seixas, M.F.A.Santos, A.Mukhopadhyay, A.C.Coelho, P.M.Reis, L.F.Veiros, A.R.Marques, N.Penacho, A.M.L.Goncalves, M.J Romao, G.J.L.Bernardes, T.Santos-Silva, C.C.Romao. A Contribution to the Rational Design of Ru(Co) 3CI2L Complexes For in Vivo Delivery of Co Dalton Trans 2014.
ISSN: ESSN 1477-9234
PubMed: 25427784
DOI: 10.1039/C4DT02966F