Chlorine in PDB 6ro5: 1YR-Y: Lysozyme with Re Cluster 1 Year on Shelf

All present enzymatic activity of 1YR-Y: Lysozyme with Re Cluster 1 Year on Shelf:
3.2.1.17;

The structure of 1YR-Y: Lysozyme with Re Cluster 1 Year on Shelf, PDB code: 6ro5 was solved by A.Brink, J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.43 / 1.68
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.880, 78.650, 80.670, 90.00, 90.00, 90.00
R / Rfree (%)	24.1 / 27.3

The structure of 1YR-Y: Lysozyme with Re Cluster 1 Year on Shelf also contains other interesting chemical elements:

Rhenium	(Re)	39 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the 1YR-Y: Lysozyme with Re Cluster 1 Year on Shelf (pdb code 6ro5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 1YR-Y: Lysozyme with Re Cluster 1 Year on Shelf, PDB code: 6ro5:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the 1YR-Y: Lysozyme with Re Cluster 1 Year on Shelf


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1YR-Y: Lysozyme with Re Cluster 1 Year on Shelf within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:39.6 occ:1.00 OH A:TYR23 2.8 28.3 1.0 O A:HOH314 3.2 34.2 1.0 ND2 B:ASN113 3.2 32.8 1.0 CZ A:TYR23 3.6 26.8 1.0 CB B:ASN113 3.6 34.5 1.0 CE2 A:TYR23 3.7 29.0 1.0 CA B:ALA110 3.8 25.6 1.0 CG B:ASN113 3.9 32.3 1.0 O B:VAL109 4.1 30.3 1.0 CA A:GLY104 4.1 32.7 1.0 CD B:ARG114 4.2 30.2 1.0 CG B:ARG114 4.2 37.5 1.0 CG1 B:VAL109 4.2 35.6 1.0 N B:ALA110 4.2 26.8 1.0 C B:VAL109 4.3 22.9 1.0 CB B:ALA110 4.4 30.7 1.0 N A:GLY104 4.6 28.2 1.0 O A:ARG21 4.7 34.6 1.0 CE1 A:TYR23 4.7 26.2 1.0 C B:ALA110 4.8 31.0 1.0 O B:ALA110 4.8 25.7 1.0 CD2 A:TYR23 4.9 26.8 1.0 CA B:ASN113 4.9 35.5 1.0

Chlorine binding site 2 out of 4 in the 1YR-Y: Lysozyme with Re Cluster 1 Year on Shelf


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1YR-Y: Lysozyme with Re Cluster 1 Year on Shelf within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:49.0 occ:1.00 O A:HOH315 2.8 41.2 1.0 O A:THR69 3.3 46.0 1.0 OD1 A:ASN65 3.4 40.0 1.0 O A:HOH316 3.5 37.9 1.0 N A:THR69 3.5 38.3 1.0 C A:THR69 3.7 43.3 1.0 N A:ARG68 3.8 35.4 0.4 N A:GLY67 3.8 42.5 1.0 N A:ARG68 3.8 35.3 0.6 CA A:GLY67 3.8 46.8 1.0 OG A:SER72 4.0 36.3 1.0 C A:GLY67 4.0 38.8 1.0 CA A:THR69 4.1 40.9 1.0 N A:PRO70 4.3 45.6 1.0 CB A:THR69 4.4 42.3 1.0 OD1 A:ASP66 4.6 33.2 1.0 C A:ARG68 4.6 39.1 0.6 C A:ARG68 4.6 39.1 0.4 CG A:ASN65 4.6 41.2 1.0 CA A:ARG68 4.7 36.9 0.6 NA A:NA205 4.7 34.6 1.0 CA A:PRO70 4.7 49.2 1.0 CA A:ARG68 4.8 37.5 0.4 N A:ASP66 4.8 33.3 1.0 C A:ASP66 4.9 39.5 1.0 O A:GLY67 4.9 43.4 1.0

Chlorine binding site 3 out of 4 in the 1YR-Y: Lysozyme with Re Cluster 1 Year on Shelf


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1YR-Y: Lysozyme with Re Cluster 1 Year on Shelf within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl205 b:31.6 occ:1.00 OH B:TYR23 3.1 29.6 1.0 NE B:ARG21 3.5 36.2 0.4 NH2 B:ARG21 3.5 43.6 0.4 CE2 B:TYR23 3.7 24.8 1.0 CZ B:TYR23 3.7 22.6 1.0 CZ B:ARG21 4.0 35.4 0.4 CA B:GLY104 4.1 31.2 1.0 CG B:ARG21 4.5 38.4 0.4 O B:ARG21 4.5 31.2 0.6 O B:ARG21 4.6 32.3 0.4 CD B:ARG21 4.6 36.4 0.4 N B:GLY104 4.8 24.4 1.0 CD2 B:TYR23 4.9 24.3 1.0 CE1 B:TYR23 4.9 25.6 1.0

Chlorine binding site 4 out of 4 in the 1YR-Y: Lysozyme with Re Cluster 1 Year on Shelf


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1YR-Y: Lysozyme with Re Cluster 1 Year on Shelf within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl206 b:40.4 occ:1.00 O B:THR69 3.3 36.2 1.0 N B:THR69 3.4 39.6 1.0 CA B:GLY67 3.5 35.1 1.0 ND2 B:ASN65 3.5 32.9 1.0 N B:GLY67 3.6 37.2 1.0 N B:ARG68 3.6 40.8 1.0 C B:GLY67 3.6 37.8 1.0 C B:THR69 3.7 34.5 1.0 CA B:THR69 4.0 34.7 1.0 OG B:SER72 4.0 39.3 1.0 OD1 B:ASP66 4.2 29.2 1.0 CB B:THR69 4.3 36.2 1.0 C B:ARG68 4.4 37.1 1.0 O B:GLY67 4.4 34.5 1.0 CA B:ARG68 4.5 37.6 1.0 N B:PRO70 4.5 40.7 1.0 C B:ASP66 4.7 40.1 1.0 NA B:NA207 4.8 27.2 1.0 N B:ASP66 4.8 28.9 1.0 CG B:ASN65 4.8 35.0 1.0 OG1 B:THR69 4.9 30.7 1.0 CA B:PRO70 4.9 43.6 1.0

A.Brink, J.R.Helliwell. Formation of A Highly Dense Tetra-Rhenium Cluster in A Protein Crystal and Its Implications in Medical Imaging. Iucrj V. 6 695 2019.
ISSN: ESSN 2052-2525
PubMed: 31316813
DOI: 10.1107/S2052252519006651