Chlorine in PDB 6qqe: Room Temperature Structure of Hen Egg White Lysozyme Recorded After An Accumulated Dose of 20 Kgy

All present enzymatic activity of Room Temperature Structure of Hen Egg White Lysozyme Recorded After An Accumulated Dose of 20 Kgy:
3.2.1.17;

The structure of Room Temperature Structure of Hen Egg White Lysozyme Recorded After An Accumulated Dose of 20 Kgy, PDB code: 6qqe was solved by G.Gotthard, S.Aumonier, A.Royant, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.61 / 1.37
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.149, 79.149, 38.097, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 18.8

The binding sites of Chlorine atom in the Room Temperature Structure of Hen Egg White Lysozyme Recorded After An Accumulated Dose of 20 Kgy (pdb code 6qqe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Room Temperature Structure of Hen Egg White Lysozyme Recorded After An Accumulated Dose of 20 Kgy, PDB code: 6qqe:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Room Temperature Structure of Hen Egg White Lysozyme Recorded After An Accumulated Dose of 20 Kgy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Room Temperature Structure of Hen Egg White Lysozyme Recorded After An Accumulated Dose of 20 Kgy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:31.3 occ:1.00 OH A:TYR23 2.9 17.1 1.0 O A:HOH343 3.5 26.1 0.5 CZ A:TYR23 3.6 14.6 1.0 CE2 A:TYR23 3.6 14.9 1.0 CA A:GLY104 4.1 16.2 1.0 O A:HOH343 4.6 24.0 0.5 O A:ARG21 4.7 21.2 1.0 N A:GLY104 4.7 16.7 1.0 CE1 A:TYR23 4.8 14.4 1.0 CD2 A:TYR23 4.9 15.5 1.0

Chlorine binding site 2 out of 3 in the Room Temperature Structure of Hen Egg White Lysozyme Recorded After An Accumulated Dose of 20 Kgy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Room Temperature Structure of Hen Egg White Lysozyme Recorded After An Accumulated Dose of 20 Kgy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:33.8 occ:1.00 O A:HOH364 2.9 48.1 1.0 OG A:SER24 3.0 23.8 1.0 N A:GLY26 3.1 14.7 1.0 CB A:SER24 3.4 22.6 1.0 CA A:GLY26 3.5 14.7 1.0 CA A:GLN121 3.7 23.4 1.0 CD1 A:ILE124 3.9 50.2 1.0 N A:LEU25 4.1 17.9 1.0 N A:GLN121 4.1 24.9 1.0 CB A:GLN121 4.2 35.5 1.0 C A:SER24 4.2 18.8 1.0 C A:LEU25 4.3 16.1 1.0 CG1 A:ILE124 4.3 25.0 1.0 CG A:GLN121 4.3 62.6 1.0 O A:VAL120 4.3 21.7 1.0 C A:VAL120 4.4 23.2 1.0 CG2 A:VAL120 4.4 22.9 1.0 CA A:SER24 4.4 17.7 1.0 C A:GLY26 4.6 14.6 1.0 CA A:LEU25 4.6 16.7 1.0 O A:SER24 4.7 17.6 1.0 O A:HOH360 4.7 15.3 0.3 N A:ASN27 4.7 13.0 1.0 CB A:LEU25 4.9 17.8 1.0 C A:GLN121 4.9 21.4 1.0

Chlorine binding site 3 out of 3 in the Room Temperature Structure of Hen Egg White Lysozyme Recorded After An Accumulated Dose of 20 Kgy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Room Temperature Structure of Hen Egg White Lysozyme Recorded After An Accumulated Dose of 20 Kgy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:60.4 occ:1.00 O A:HOH333 2.9 58.7 1.0 N A:ILE88 3.3 21.1 1.0 CG1 A:ILE88 3.6 22.3 1.0 O A:HOH319 3.6 44.8 1.0 CA A:ASP87 3.8 21.8 1.0 O A:SER86 3.9 29.7 0.5 O A:SER86 3.9 24.5 0.5 OD1 A:ASP87 4.0 29.6 1.0 C A:ASP87 4.0 24.7 1.0 CE1 A:HIS15 4.2 31.4 1.0 CB A:ILE88 4.2 18.7 1.0 CA A:ILE88 4.3 17.7 1.0 CZ A:PHE3 4.3 26.1 1.0 CG2 A:ILE88 4.4 21.9 1.0 CB A:ALA11 4.5 23.2 1.0 CD1 A:ILE88 4.5 26.3 1.0 CG A:ASP87 4.6 43.4 1.0 CB A:ASP87 4.6 28.5 1.0 N A:ASP87 4.7 22.7 1.0 C A:SER86 4.7 23.9 0.5 C A:SER86 4.7 22.4 0.5 NH2 A:ARG14 4.8 38.7 0.5 CE2 A:PHE3 4.8 21.1 1.0 ND1 A:HIS15 4.9 28.6 1.0 N A:THR89 5.0 19.2 1.0

G.Gotthard, S.Aumonier, D.De Sanctis, G.Leonard, D.Von Stetten, A.Royant. Specific Radiation Damage Is A Lesser Concern at Room Temperature. Iucrj V. 6 665 2019.
ISSN: ESSN 2052-2525
PubMed: 31316810
DOI: 10.1107/S205225251900616X