Chlorine in PDB 1yil: Structure of Hen Egg White Lysozyme Soaked with CU2- Xylylbicyclam

All present enzymatic activity of Structure of Hen Egg White Lysozyme Soaked with CU2- Xylylbicyclam:
3.2.1.17;

The structure of Structure of Hen Egg White Lysozyme Soaked with CU2- Xylylbicyclam, PDB code: 1yil was solved by T.M.Hunter, I.W.Mcnae, X.Liang, J.Bella, S.Parsons, M.D.Walkinshaw, P.J.Sadler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.22 / 1.60
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.258, 78.258, 37.901, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 22.3

The structure of Structure of Hen Egg White Lysozyme Soaked with CU2- Xylylbicyclam also contains other interesting chemical elements:

Copper	(Cu)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Structure of Hen Egg White Lysozyme Soaked with CU2- Xylylbicyclam (pdb code 1yil). 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 CU2- Xylylbicyclam, PDB code: 1yil:
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 CU2- 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 CU2- Xylylbicyclam within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:21.0 occ:1.00 OH A:TYR23 2.9 10.7 1.0 O A:HOH535 3.5 19.6 1.0 CZ A:TYR23 3.6 11.3 1.0 CE2 A:TYR23 3.6 8.7 1.0 CA A:GLY104 4.1 10.8 1.0 O A:ARG21 4.6 17.3 1.0 N A:GLY104 4.8 11.9 1.0 CE1 A:TYR23 4.8 9.2 1.0 CD2 A:TYR23 4.9 9.6 1.0

Chlorine binding site 2 out of 2 in the Structure of Hen Egg White Lysozyme Soaked with CU2- 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 CU2- Xylylbicyclam within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:24.7 occ:1.00 O A:HOH530 3.1 12.6 1.0 N A:THR69 3.2 13.1 1.0 O A:THR69 3.2 14.5 1.0 N A:ARG68 3.5 13.3 1.0 O A:HOH618 3.5 33.3 1.0 O A:HOH572 3.6 34.8 1.0 C A:THR69 3.6 14.6 1.0 C A:GLY67 3.6 14.4 1.0 OD1 A:ASN65 3.6 16.9 1.0 CA A:GLY67 3.7 13.2 1.0 N A:GLY67 3.7 12.2 1.0 OG A:SER72 3.7 15.2 1.0 CA A:THR69 3.8 13.3 1.0 O A:HOH538 3.9 15.0 1.0 CB A:THR69 4.2 12.8 1.0 C A:ARG68 4.2 13.4 1.0 OD1 A:ASP66 4.2 10.1 1.0 O A:GLY67 4.2 15.9 1.0 CA A:ARG68 4.3 13.7 1.0 O A:HOH516 4.3 43.6 1.0 N A:PRO70 4.3 15.9 1.0 O A:HOH523 4.6 40.7 1.0 NA A:NA504 4.6 12.4 1.0 C A:ASP66 4.7 11.0 1.0 OG1 A:THR69 4.8 11.6 1.0 N A:ASP66 4.8 9.1 1.0 CA A:PRO70 4.8 17.9 1.0 CG A:ASN65 4.8 12.4 1.0 O A:HOH588 4.9 28.1 1.0 CB A:SER72 4.9 17.1 1.0

T.M.Hunter, I.W.Mcnae, X.Liang, J.Bella, S.Parsons, M.D.Walkinshaw, P.J.Sadler. Protein Recognition of Macrocycles: Binding of Anti-Hiv Metallocyclams to Lysozyme Proc.Natl.Acad.Sci.Usa V. 102 2288 2005.
ISSN: ISSN 0027-8424
PubMed: 15701702
DOI: 10.1073/PNAS.0407595102