Chlorine in PDB 5jx3: Wild Type D4 in Orthorhombic Space Group

All present enzymatic activity of Wild Type D4 in Orthorhombic Space Group:
3.2.2.27;

The structure of Wild Type D4 in Orthorhombic Space Group, PDB code: 5jx3 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)	32.24 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	117.769, 134.065, 139.101, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 24.9

The binding sites of Chlorine atom in the Wild Type D4 in Orthorhombic Space Group (pdb code 5jx3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Wild Type D4 in Orthorhombic Space Group, PDB code: 5jx3:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Wild Type D4 in Orthorhombic Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Wild Type D4 in Orthorhombic Space Group within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl304 b:50.1 occ:1.00 O D:HOH413 3.5 25.8 1.0 ND2 D:ASN83 3.7 32.2 1.0 CG D:ASN83 3.8 31.8 1.0 CD D:PRO82 3.8 25.8 1.0 O D:HOH457 3.9 24.6 1.0 OD1 D:ASN83 3.9 32.1 1.0 CG D:PRO82 4.3 26.2 1.0 N D:ASN83 4.3 27.8 1.0 CB D:PRO82 4.5 26.3 1.0 CB D:ASN83 4.5 29.4 1.0 N D:PRO82 4.5 25.4 1.0 CB D:ASP73 4.6 21.3 1.0 O D:HOH419 4.9 16.2 1.0 CA D:PRO82 5.0 26.4 1.0

Chlorine binding site 2 out of 4 in the Wild Type D4 in Orthorhombic Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Wild Type D4 in Orthorhombic Space Group within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl303 b:52.9 occ:1.00 OD1 F:ASN31 2.9 37.6 1.0 N F:HIS8 3.1 39.8 1.0 OG F:SER7 3.3 42.7 1.0 ND1 F:HIS8 3.3 40.5 1.0 CD2 F:TYR30 3.3 34.1 1.0 CB F:ALA34 3.4 37.2 1.0 CA F:ASN31 3.5 37.6 1.0 CB F:HIS8 3.5 40.3 1.0 O F:TYR30 3.6 34.1 1.0 N F:SER7 3.6 40.5 1.0 CE2 F:TYR30 3.6 34.2 1.0 N F:ASN31 3.7 36.0 1.0 C F:TYR30 3.8 35.3 1.0 CG F:HIS8 3.8 40.6 1.0 CA F:HIS8 3.8 39.9 1.0 CB F:VAL6 3.9 40.1 1.0 CG F:ASN31 3.9 37.0 1.0 C F:SER7 4.0 40.5 1.0 CA F:SER7 4.1 41.2 1.0 CB F:SER7 4.3 41.2 1.0 O F:HIS8 4.3 38.7 1.0 C F:VAL6 4.3 40.2 1.0 CB F:ASN31 4.3 37.1 1.0 CG F:TYR30 4.3 33.8 1.0 C F:HIS8 4.4 39.3 1.0 CE1 F:HIS8 4.5 40.6 1.0 C F:ASN31 4.5 38.6 1.0 CG2 F:VAL6 4.5 39.8 1.0 CA F:VAL6 4.6 40.6 1.0 O F:ASN31 4.6 39.4 1.0 CG1 F:VAL6 4.6 39.9 1.0 CZ F:TYR30 4.7 34.1 1.0 CB F:TYR30 4.8 34.1 1.0 CA F:ALA34 4.8 37.4 1.0 CA F:TYR30 4.9 34.5 1.0

Chlorine binding site 3 out of 4 in the Wild Type D4 in Orthorhombic Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Wild Type D4 in Orthorhombic Space Group within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl302 b:47.1 occ:1.00 N G:LYS160 3.4 32.5 1.0 O G:HOH493 3.6 31.4 1.0 N G:HIS181 3.8 33.9 1.0 CB G:LYS160 3.9 35.5 1.0 CD1 G:TYR180 4.1 37.8 1.0 CA G:LYS160 4.1 33.5 1.0 CA G:GLY159 4.2 28.8 1.0 N G:THR161 4.2 33.2 1.0 C G:GLY159 4.2 30.6 1.0 CA G:TYR180 4.3 33.3 1.0 CB G:HIS181 4.4 36.4 1.0 OG1 G:THR161 4.4 35.4 1.0 CG G:LYS160 4.4 36.9 1.0 CB G:ALA184 4.5 49.6 1.0 C G:TYR180 4.6 33.2 1.0 C G:LYS160 4.7 33.4 1.0 CB G:TYR180 4.7 34.7 1.0 CA G:HIS181 4.8 35.5 1.0 CG G:TYR180 4.9 36.5 1.0 CD G:LYS160 4.9 38.3 1.0 CE1 G:TYR180 4.9 38.6 1.0

Chlorine binding site 4 out of 4 in the Wild Type D4 in Orthorhombic Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Wild Type D4 in Orthorhombic Space Group within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl302 b:44.4 occ:1.00 N H:LYS160 3.5 46.7 1.0 CB H:LYS160 3.8 48.3 1.0 CD1 H:TYR180 3.9 58.9 1.0 N H:HIS181 3.9 55.5 1.0 CA H:LYS160 4.2 47.1 1.0 CA H:TYR180 4.2 55.0 1.0 N H:THR161 4.3 47.8 1.0 CG H:LYS160 4.3 49.4 1.0 C H:GLY159 4.4 44.4 1.0 CA H:GLY159 4.5 42.6 1.0 OG1 H:THR161 4.5 51.3 1.0 CB H:HIS181 4.6 59.6 1.0 C H:TYR180 4.6 54.6 1.0 CB H:TYR180 4.6 56.7 1.0 CE1 H:TYR180 4.7 59.9 1.0 CG H:TYR180 4.7 57.8 1.0 C H:LYS160 4.7 47.6 1.0 CD H:LYS160 4.8 50.0 1.0 CA H:HIS181 4.9 57.6 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