Chlorine in PDB 2h9j: Structure of Hen Egg White Lysozyme Soaked with NI2- Xylylbicyclam

All present enzymatic activity of Structure of Hen Egg White Lysozyme Soaked with NI2- Xylylbicyclam:
3.2.1.17;

The structure of Structure of Hen Egg White Lysozyme Soaked with NI2- Xylylbicyclam, PDB code: 2h9j was solved by I.W.Mcnae, T.M.Hunter, P.J.Sadler, M.D.Walkinshaw, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.38 / 1.75
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.577, 77.577, 38.355, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 23.2

The structure of Structure of Hen Egg White Lysozyme Soaked with NI2- Xylylbicyclam also contains other interesting chemical elements:

Nickel	(Ni)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Structure of Hen Egg White Lysozyme Soaked with NI2- Xylylbicyclam (pdb code 2h9j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Hen Egg White Lysozyme Soaked with NI2- Xylylbicyclam, PDB code: 2h9j:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Hen Egg White Lysozyme Soaked with NI2- Xylylbicyclam


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Hen Egg White Lysozyme Soaked with NI2- Xylylbicyclam within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:26.7 occ:1.00 OH A:TYR23 2.9 13.6 1.0 O A:HOH255 3.2 40.1 1.0 O A:HOH216 3.5 22.7 1.0 CZ A:TYR23 3.7 15.6 1.0 CE2 A:TYR23 3.7 14.8 1.0 CA A:GLY104 4.0 15.3 1.0 N A:GLY104 4.7 17.6 1.0 O A:ARG21 4.7 20.7 1.0 CE1 A:TYR23 4.9 13.6 1.0 CD2 A:TYR23 4.9 13.9 1.0 O A:HOH254 5.0 28.1 1.0

Chlorine binding site 2 out of 2 in the Structure of Hen Egg White Lysozyme Soaked with NI2- Xylylbicyclam


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Hen Egg White Lysozyme Soaked with NI2- Xylylbicyclam within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:33.5 occ:1.00 O A:HOH211 2.9 19.7 1.0 N A:THR69 3.2 24.1 1.0 O A:THR69 3.4 25.4 1.0 OD1 A:ASN65 3.4 24.3 1.0 N A:ARG68 3.4 21.8 1.0 CA A:GLY67 3.6 20.8 1.0 C A:GLY67 3.6 23.1 1.0 N A:GLY67 3.6 20.6 1.0 OG A:SER72 3.7 29.8 1.0 C A:THR69 3.7 26.8 1.0 O A:HOH221 3.9 21.1 1.0 CA A:THR69 3.9 24.6 1.0 C A:ARG68 4.2 23.3 1.0 OD1 A:ASP66 4.2 17.8 1.0 CB A:THR69 4.2 24.4 1.0 CA A:ARG68 4.2 22.7 1.0 O A:GLY67 4.4 24.6 1.0 N A:PRO70 4.4 29.1 1.0 CG A:ASN65 4.6 21.3 1.0 C A:ASP66 4.7 17.8 1.0 N A:ASP66 4.7 15.7 1.0 NA A:NA205 4.7 22.7 1.0 OG1 A:THR69 4.8 21.9 1.0 CA A:PRO70 4.9 30.4 1.0 CB A:SER72 5.0 29.7 1.0

T.M.Hunter, I.W.Mcnae, D.P.Simpson, A.M.Smith, S.Moggach, F.White, M.D.Walkinshaw, S.Parsons, P.J.Sadler. Configurations of Nickel-Cyclam Antiviral Complexes and Protein Recognition. Chemistry V. 13 40 2007.
ISSN: ISSN 0947-6539
PubMed: 17120266
DOI: 10.1002/CHEM.200601334