Chlorine in PDB 4ooo: X-Ray Structure of the Lysozyme Derivative of Tetrakis(Acetato) Chlorido Diruthenium(II,III) Complex

All present enzymatic activity of X-Ray Structure of the Lysozyme Derivative of Tetrakis(Acetato) Chlorido Diruthenium(II,III) Complex:
3.2.1.17;

The structure of X-Ray Structure of the Lysozyme Derivative of Tetrakis(Acetato) Chlorido Diruthenium(II,III) Complex, PDB code: 4ooo was solved by A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.36 / 2.15
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.292, 78.292, 37.119, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 25.4

The structure of X-Ray Structure of the Lysozyme Derivative of Tetrakis(Acetato) Chlorido Diruthenium(II,III) Complex also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the X-Ray Structure of the Lysozyme Derivative of Tetrakis(Acetato) Chlorido Diruthenium(II,III) Complex (pdb code 4ooo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of the Lysozyme Derivative of Tetrakis(Acetato) Chlorido Diruthenium(II,III) Complex, PDB code: 4ooo:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of the Lysozyme Derivative of Tetrakis(Acetato) Chlorido Diruthenium(II,III) Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the Lysozyme Derivative of Tetrakis(Acetato) Chlorido Diruthenium(II,III) Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:33.3 occ:1.00 OH A:TYR23 2.9 20.1 1.0 O A:HOH301 3.4 28.7 1.0 CZ A:TYR23 3.6 21.0 1.0 CE2 A:TYR23 3.7 19.4 1.0 CA A:GLY104 4.0 26.5 1.0 N A:GLY104 4.6 27.3 1.0 O A:ARG21 4.7 25.6 1.0 CE1 A:TYR23 4.8 20.6 1.0 CD2 A:TYR23 5.0 18.8 1.0 O A:HOH325 5.0 29.2 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of the Lysozyme Derivative of Tetrakis(Acetato) Chlorido Diruthenium(II,III) Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of the Lysozyme Derivative of Tetrakis(Acetato) Chlorido Diruthenium(II,III) Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:33.3 occ:1.00 N A:THR69 3.1 30.5 1.0 O A:HOH308 3.1 22.5 1.0 O A:HOH373 3.3 41.3 1.0 O A:HOH315 3.3 39.7 1.0 CA A:GLY67 3.4 27.8 1.0 N A:ARG68 3.4 29.7 1.0 C A:GLY67 3.5 29.9 1.0 O A:THR69 3.5 29.6 1.0 N A:GLY67 3.5 26.7 1.0 OD1 A:ASN65 3.6 30.1 1.0 C A:THR69 3.7 30.7 1.0 CA A:THR69 3.8 30.2 1.0 OG A:SER72 3.9 32.1 1.0 O A:HOH350 4.0 30.5 1.0 C A:ARG68 4.1 31.4 1.0 O A:GLY67 4.2 29.5 1.0 CB A:THR69 4.2 30.0 1.0 OD1 A:ASP66 4.2 28.1 1.0 CA A:ARG68 4.2 30.9 1.0 N A:PRO70 4.6 31.6 1.0 C A:ASP66 4.6 26.0 1.0 OG1 A:THR69 4.6 28.6 1.0 CG A:ASN65 4.8 25.1 1.0 NA A:NA203 4.9 31.2 1.0 N A:ASP66 4.9 23.9 1.0 O A:HOH385 4.9 32.0 0.5

L.Messori, T.Marzo, R.N.Sanches, Hanif-Ur-Rehman, D.De Oliveira Silva, A.Merlino. Unusual Structural Features in the Lysozyme Derivative of the Tetrakis(Acetato)Chloridodiruthenium(II,III) Complex. Angew.Chem.Int.Ed.Engl. V. 53 6172 2014.
ISSN: ISSN 1433-7851
PubMed: 24796316
DOI: 10.1002/ANIE.201403337