Chlorine in PDB 5o6q: High Pressure Flash Cooled Hen Egg White Lysozyme

All present enzymatic activity of High Pressure Flash Cooled Hen Egg White Lysozyme:
3.2.1.17;

The structure of High Pressure Flash Cooled Hen Egg White Lysozyme, PDB code: 5o6q was solved by Y.Thielmann, D.Quirnheim Pais, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.98 / 1.45
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.950, 77.950, 37.270, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 19.7

The structure of High Pressure Flash Cooled Hen Egg White Lysozyme also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the High Pressure Flash Cooled Hen Egg White Lysozyme (pdb code 5o6q). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the High Pressure Flash Cooled Hen Egg White Lysozyme, PDB code: 5o6q:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the High Pressure Flash Cooled Hen Egg White Lysozyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High Pressure Flash Cooled Hen Egg White Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:36.0 occ:0.83 OG A:SER24 3.0 38.5 1.0 N A:GLY26 3.1 26.6 1.0 CA A:GLY26 3.4 25.5 1.0 CB A:SER24 3.5 39.6 1.0 CA A:GLN121 3.7 38.5 1.0 CD1 A:ILE124 3.8 49.7 1.0 N A:GLN121 4.0 37.8 1.0 CB A:GLN121 4.1 49.2 1.0 N A:LEU25 4.2 31.3 1.0 CG1 A:ILE124 4.2 41.0 1.0 O A:VAL120 4.3 32.5 1.0 C A:LEU25 4.3 26.2 1.0 C A:VAL120 4.3 31.5 1.0 C A:SER24 4.3 28.2 1.0 CG A:GLN121 4.4 58.0 1.0 C A:GLY26 4.5 24.1 1.0 CA A:SER24 4.6 32.5 1.0 CG2 A:VAL120 4.6 37.8 1.0 N A:ASN27 4.6 24.4 1.0 CA A:LEU25 4.7 28.1 1.0 O A:SER24 4.8 30.6 1.0 C A:GLN121 4.8 38.0 1.0 O A:HOH301 4.9 29.2 0.8 CB A:LEU25 5.0 34.1 1.0 CG2 A:ILE124 5.0 39.9 1.0

Chlorine binding site 2 out of 4 in the High Pressure Flash Cooled Hen Egg White Lysozyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of High Pressure Flash Cooled Hen Egg White Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:37.5 occ:0.87 N A:ILE88 3.2 27.8 1.0 O A:HOH325 3.4 39.2 1.0 CG1 A:ILE88 3.7 29.7 1.0 CE1 A:HIS15 3.7 41.6 1.0 CA A:ASP87 3.8 31.3 1.0 NH2 A:ARG14 3.9 37.9 0.6 OD1 A:ASP87 4.0 39.4 1.0 C A:ASP87 4.0 27.3 1.0 O A:SER86 4.1 35.9 1.0 CB A:ILE88 4.2 27.5 1.0 CG2 A:ILE88 4.2 28.2 1.0 CA A:ILE88 4.2 25.5 1.0 CB A:ALA11 4.3 30.5 1.0 CG A:ASP87 4.3 41.9 1.0 CZ A:PHE3 4.4 25.8 1.0 NE2 A:HIS15 4.4 44.4 1.0 ND1 A:HIS15 4.5 37.4 1.0 CD1 A:ILE88 4.5 33.1 1.0 CB A:ASP87 4.6 33.5 1.0 N A:ASP87 4.8 30.3 1.0 C A:SER86 4.9 34.8 1.0 N A:THR89 4.9 30.6 1.0 OD2 A:ASP87 4.9 46.4 1.0 CE2 A:PHE3 4.9 27.6 1.0 C A:ILE88 5.0 27.0 1.0

Chlorine binding site 3 out of 4 in the High Pressure Flash Cooled Hen Egg White Lysozyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of High Pressure Flash Cooled Hen Egg White Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:24.9 occ:0.70 O A:HOH417 3.1 40.1 1.0 O A:HOH363 3.1 22.7 1.0 N A:THR69 3.1 24.3 1.0 O A:THR69 3.2 31.1 1.0 O A:HOH337 3.2 41.8 1.0 O A:HOH388 3.3 40.0 1.0 N A:ARG68 3.5 21.9 1.0 C A:THR69 3.6 26.9 1.0 C A:GLY67 3.6 25.5 1.0 OG A:SER72 3.6 32.5 1.0 OD1 A:ASN65 3.7 27.2 1.0 CA A:GLY67 3.7 23.1 1.0 N A:GLY67 3.7 22.4 1.0 CA A:THR69 3.8 24.8 1.0 O A:HOH386 4.0 28.3 1.0 CB A:THR69 4.1 23.6 1.0 C A:ARG68 4.2 30.1 1.0 O A:GLY67 4.2 28.8 1.0 OD1 A:ASP66 4.3 20.5 1.0 CA A:ARG68 4.3 25.0 0.7 CA A:ARG68 4.3 26.6 0.3 N A:PRO70 4.4 28.5 1.0 NA A:NA201 4.7 18.3 0.5 OG1 A:THR69 4.7 23.0 1.0 C A:ASP66 4.8 20.5 1.0 CA A:PRO70 4.9 31.9 1.0 CG A:ASN65 4.9 30.9 1.0 N A:ASP66 4.9 20.7 1.0 O A:HOH342 4.9 32.8 1.0 CB A:SER72 4.9 35.9 1.0

Chlorine binding site 4 out of 4 in the High Pressure Flash Cooled Hen Egg White Lysozyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of High Pressure Flash Cooled Hen Egg White Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:27.8 occ:0.77 OH A:TYR23 3.0 30.3 1.0 O A:HOH323 3.3 31.4 1.0 CZ A:TYR23 3.6 27.8 1.0 CE2 A:TYR23 3.6 26.9 1.0 CA A:GLY104 4.2 27.4 1.0 O A:ARG21 4.6 34.4 1.0 CE1 A:TYR23 4.8 25.1 1.0 CD2 A:TYR23 4.8 25.6 1.0 N A:GLY104 4.8 28.4 1.0 O A:HOH319 4.9 42.7 1.0

D.Quirnheim Pais, B.Rathmann, J.Koepke, C.Tomova, P.Wurzinger, Y.Thielmann. A Standardized Technique For High-Pressure Cooling of Protein Crystals. Acta Crystallogr D Struct V. 73 997 2017BIOL.
ISSN: ISSN 2059-7983
PubMed: 29199979
DOI: 10.1107/S2059798317016357