Chlorine in PDB 3a95: Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8

All present enzymatic activity of Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8:
3.2.1.17;

The structure of Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8, PDB code: 3a95 was solved by S.Abe, T.Koshiyama, T.Ohki, T.Hikage, Y.Watanabe, T.Ueno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.57 / 1.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.956, 77.956, 37.305, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 24.3

The structure of Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8 also contains other interesting chemical elements:

Rhodium	(Rh)	6 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8 (pdb code 3a95). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8, PDB code: 3a95:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl131 b:22.5 occ:1.00 OG A:SER24 3.0 17.9 1.0 N A:GLY26 3.2 12.7 1.0 CB A:SER24 3.4 15.2 1.0 CA A:GLY26 3.5 11.8 1.0 CA A:GLN121 3.6 16.7 1.0 N A:GLN121 3.9 16.7 1.0 CD1 A:ILE124 3.9 24.8 1.0 CB A:GLN121 4.0 17.6 1.0 N A:LEU25 4.2 13.9 1.0 CG2 A:VAL120 4.2 17.1 1.0 O A:VAL120 4.2 16.4 1.0 C A:VAL120 4.2 16.3 1.0 C A:SER24 4.3 14.7 1.0 C A:LEU25 4.3 13.4 1.0 CG1 A:ILE124 4.3 21.4 1.0 CA A:SER24 4.5 14.3 1.0 C A:GLY26 4.5 12.0 1.0 N A:ASN27 4.6 11.8 1.0 O A:SER24 4.7 14.6 1.0 CA A:LEU25 4.7 14.0 1.0 O A:HOH206 4.7 28.0 1.0 C A:GLN121 4.8 16.6 1.0 CB A:VAL120 5.0 16.3 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl132 b:17.1 occ:1.00 OH A:TYR23 3.0 12.2 1.0 CZ A:TYR23 3.7 11.0 1.0 CE2 A:TYR23 3.7 10.8 1.0 CA A:GLY104 4.1 13.1 1.0 O A:ARG21 4.5 15.8 1.0 N A:GLY104 4.7 14.2 1.0 CE1 A:TYR23 4.9 11.8 1.0 CD2 A:TYR23 4.9 11.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Hen Egg White Lysozyme Soaked with 100MM RHCL3 at PH3.8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl133 b:20.4 occ:1.00 O A:HOH148 3.1 15.1 1.0 N A:THR69 3.2 16.8 1.0 O A:HOH229 3.2 36.2 1.0 O A:THR69 3.2 17.5 1.0 O A:HOH208 3.3 29.5 1.0 ND2 A:ASN65 3.6 15.0 1.0 N A:ARG68 3.6 16.4 1.0 C A:GLY67 3.6 16.7 1.0 C A:THR69 3.6 17.5 1.0 OG A:SER72 3.7 20.0 1.0 CA A:GLY67 3.7 14.9 1.0 N A:GLY67 3.8 15.0 1.0 CA A:THR69 3.8 16.7 1.0 O A:HOH153 4.0 18.5 1.0 O A:GLY67 4.2 17.6 1.0 CB A:THR69 4.2 17.0 1.0 C A:ARG68 4.3 17.4 1.0 OD1 A:ASP66 4.3 13.3 1.0 CA A:ARG68 4.4 17.2 1.0 N A:PRO70 4.5 18.3 1.0 NA A:NA130 4.7 15.4 1.0 C A:ASP66 4.8 14.2 1.0 OG1 A:THR69 4.9 14.3 1.0 CG A:ASN65 4.9 14.6 1.0 N A:ASP66 4.9 12.7 1.0 CB A:SER72 4.9 20.6 1.0 O A:HOH201 4.9 36.7 1.0 CA A:PRO70 5.0 18.6 1.0

T.Ueno, S.Abe, T.Koshiyama, T.Ohki, T.Hikage, Y.Watanabe. Elucidation of Metal-Ion Accumulation Induced By Hydrogen Bonds on Protein Surfaces By Using Porous Lysozyme Crystals Containing Rh(III) Ions As the Model Surfaces Chemistry V. 16 2730 2010.
ISSN: ISSN 0947-6539
PubMed: 20146274
DOI: 10.1002/CHEM.200903269