Chlorine in PDB 5jx0: Temperature Sensitive D4 Mutant L110F

All present enzymatic activity of Temperature Sensitive D4 Mutant L110F:
3.2.2.27;

The structure of Temperature Sensitive D4 Mutant L110F, PDB code: 5jx0 was solved by N.Schormann, D.Chattopadhyay, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.08 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	92.346, 102.916, 116.587, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 25.3

The binding sites of Chlorine atom in the Temperature Sensitive D4 Mutant L110F (pdb code 5jx0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Temperature Sensitive D4 Mutant L110F, PDB code: 5jx0:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Temperature Sensitive D4 Mutant L110F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Temperature Sensitive D4 Mutant L110F within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:52.9 occ:1.00 N A:LYS160 3.2 44.0 1.0 N A:HIS181 3.3 45.2 1.0 CG A:LYS160 3.7 45.7 1.0 CA A:TYR180 3.8 41.5 1.0 CB A:LYS160 3.9 44.3 1.0 CA A:GLY159 3.9 37.0 1.0 O A:HOH429 3.9 45.3 1.0 CB A:HIS181 3.9 55.7 1.0 CD1 A:TYR180 4.0 42.6 1.0 C A:GLY159 4.0 39.4 1.0 C A:TYR180 4.1 41.3 1.0 CA A:LYS160 4.1 44.2 1.0 CB A:ALA184 4.2 58.4 1.0 CA A:HIS181 4.2 50.5 1.0 CB A:TYR180 4.3 42.0 1.0 CG A:TYR180 4.6 43.9 1.0 O A:GLY179 4.6 44.9 1.0 N A:GLY159 4.7 37.0 1.0 N A:THR161 4.7 47.3 1.0 CE1 A:TYR180 4.9 44.8 1.0 O A:HIS181 4.9 50.1 1.0 N A:TYR180 4.9 42.3 1.0

Chlorine binding site 2 out of 4 in the Temperature Sensitive D4 Mutant L110F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Temperature Sensitive D4 Mutant L110F within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:43.6 occ:1.00 N B:HIS181 3.2 40.7 1.0 N B:LYS160 3.3 45.1 1.0 CB B:HIS181 3.7 54.5 1.0 CA B:TYR180 3.7 42.3 1.0 CG B:LYS160 3.8 45.6 1.0 CA B:GLY159 3.9 37.9 1.0 O B:HOH446 3.9 42.9 1.0 C B:TYR180 4.0 40.2 1.0 CD1 B:TYR180 4.0 41.3 1.0 CB B:LYS160 4.0 46.6 1.0 CA B:HIS181 4.1 48.0 1.0 CB B:ALA184 4.1 75.3 1.0 C B:GLY159 4.1 42.2 1.0 CA B:LYS160 4.3 46.7 1.0 CB B:TYR180 4.3 41.8 1.0 CG B:TYR180 4.6 43.8 1.0 O B:GLY179 4.7 37.1 1.0 N B:GLY159 4.7 35.0 1.0 O B:HIS181 4.8 49.2 1.0 N B:THR161 4.9 46.4 1.0 N B:TYR180 4.9 41.4 1.0 CE1 B:TYR180 4.9 41.3 1.0 C B:HIS181 5.0 47.3 1.0

Chlorine binding site 3 out of 4 in the Temperature Sensitive D4 Mutant L110F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Temperature Sensitive D4 Mutant L110F within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:51.4 occ:1.00 N C:LYS160 3.2 44.4 1.0 N C:HIS181 3.2 45.3 1.0 O C:HOH436 3.6 58.5 1.0 CG C:LYS160 3.7 50.0 1.0 CA C:TYR180 3.8 39.6 1.0 CB C:LYS160 3.8 47.6 1.0 CA C:GLY159 3.8 40.3 1.0 CB C:HIS181 3.9 57.3 1.0 CD1 C:TYR180 4.0 38.0 1.0 C C:GLY159 4.0 42.8 1.0 C C:TYR180 4.0 41.2 1.0 CA C:LYS160 4.1 45.5 1.0 CA C:HIS181 4.2 48.7 1.0 CB C:ALA184 4.2 68.2 1.0 CB C:TYR180 4.3 36.6 1.0 CG C:TYR180 4.6 38.1 1.0 O C:GLY179 4.6 40.4 1.0 N C:GLY159 4.7 39.1 1.0 N C:THR161 4.7 49.4 1.0 O C:HIS181 4.9 51.4 1.0 N C:TYR180 4.9 39.8 1.0 CE1 C:TYR180 4.9 39.8 1.0 C C:LYS160 5.0 43.9 1.0

Chlorine binding site 4 out of 4 in the Temperature Sensitive D4 Mutant L110F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Temperature Sensitive D4 Mutant L110F within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl302 b:57.5 occ:1.00 N D:HIS181 3.2 46.7 1.0 N D:LYS160 3.3 44.8 1.0 CB D:HIS181 3.8 59.1 1.0 CA D:GLY159 3.8 43.1 1.0 CA D:TYR180 3.8 44.4 1.0 CG D:LYS160 3.9 48.6 1.0 CB D:LYS160 4.0 48.1 1.0 C D:TYR180 4.0 43.8 1.0 C D:GLY159 4.0 44.4 1.0 CB D:ALA184 4.1 80.0 1.0 CD1 D:TYR180 4.1 46.1 1.0 CA D:HIS181 4.1 52.5 1.0 CA D:LYS160 4.2 46.1 1.0 CB D:TYR180 4.4 43.7 1.0 N D:GLY159 4.7 42.4 1.0 CG D:TYR180 4.7 44.1 1.0 O D:GLY179 4.7 35.0 1.0 O D:HIS181 4.8 46.8 1.0 N D:THR161 4.8 54.0 1.0 CA D:ALA184 4.9 83.5 1.0

N.Schormann, N.Zhukovskaya, G.Bedwell, M.Nuth, R.Gillilan, P.E.Prevelige, R.P.Ricciardi, S.Banerjee, D.Chattopadhyay. Poxvirus Uracil-Dna Glycosylase-An Unusual Member of the Family I Uracil-Dna Glycosylases. Protein Sci. V. 25 2113 2016.
ISSN: ESSN 1469-896X
PubMed: 27684934
DOI: 10.1002/PRO.3058