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Chlorine in PDB 4qca: Crystal Structure of Vaccinia Virus Uracil-Dna Glycosylase Mutant R167AD4

Enzymatic activity of Crystal Structure of Vaccinia Virus Uracil-Dna Glycosylase Mutant R167AD4

All present enzymatic activity of Crystal Structure of Vaccinia Virus Uracil-Dna Glycosylase Mutant R167AD4:
3.2.2.27;

Protein crystallography data

The structure of Crystal Structure of Vaccinia Virus Uracil-Dna Glycosylase Mutant R167AD4, PDB code: 4qca was solved by D.Sartmatova, T.Nash, N.Schormann, M.Nuth, R.Ricciardi, S.Banerjee, D.Chattopadhyay, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.45 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 72.140, 118.268, 121.970, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 23.6

Other elements in 4qca:

The structure of Crystal Structure of Vaccinia Virus Uracil-Dna Glycosylase Mutant R167AD4 also contains other interesting chemical elements:

Potassium (K) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Vaccinia Virus Uracil-Dna Glycosylase Mutant R167AD4 (pdb code 4qca). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Vaccinia Virus Uracil-Dna Glycosylase Mutant R167AD4, PDB code: 4qca:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4qca

Go back to Chlorine Binding Sites List in 4qca
Chlorine binding site 1 out of 4 in the Crystal Structure of Vaccinia Virus Uracil-Dna Glycosylase Mutant R167AD4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Vaccinia Virus Uracil-Dna Glycosylase Mutant R167AD4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:43.5
occ:1.00
 O A:HOH526 3.0 37.3 1.0
N A:LYS160 3.4 21.4 1.0
N A:HIS181 3.6 25.1 1.0
CA A:TYR180 3.8 22.6 1.0
CD1 A:TYR180 3.8 25.7 1.0
CA A:GLY159 3.9 20.5 1.0
CB A:LYS160 4.1 23.8 1.0
CG A:LYS160 4.1 24.7 1.0
C A:GLY159 4.1 21.0 1.0
C A:TYR180 4.2 23.4 1.0
O A:HOH429 4.2 20.1 1.0
CA A:LYS160 4.3 23.1 1.0
CB A:HIS181 4.3 29.5 1.0
CB A:TYR180 4.4 23.6 1.0
O A:GLY179 4.5 20.1 1.0
CB A:ALA184 4.5 53.4 1.0
CA A:HIS181 4.6 28.1 1.0
CG A:TYR180 4.6 24.8 1.0
N A:THR161 4.6 23.5 1.0
CE1 A:TYR180 4.7 26.3 1.0
N A:TYR180 4.8 21.3 1.0
N A:GLY159 4.9 20.1 1.0
CD A:LYS160 4.9 25.9 1.0

Chlorine binding site 2 out of 4 in 4qca

Go back to Chlorine Binding Sites List in 4qca
Chlorine binding site 2 out of 4 in the Crystal Structure of Vaccinia Virus Uracil-Dna Glycosylase Mutant R167AD4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Vaccinia Virus Uracil-Dna Glycosylase Mutant R167AD4 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:47.2
occ:1.00
 N B:LYS160 3.2 25.6 1.0
N B:HIS181 3.5 23.6 1.0
CA B:TYR180 3.6 22.0 1.0
CD1 B:TYR180 3.8 25.1 1.0
CA B:GLY159 3.8 23.6 1.0
O B:HOH459 3.9 28.3 1.0
CB B:LYS160 3.9 28.4 1.0
C B:GLY159 4.0 24.2 1.0
C B:TYR180 4.1 22.6 1.0
CA B:LYS160 4.1 26.8 1.0
CG B:LYS160 4.1 29.5 1.0
CB B:TYR180 4.2 23.0 1.0
CB B:HIS181 4.4 25.8 1.0
O B:GLY179 4.4 19.5 1.0
CG B:TYR180 4.4 23.9 1.0
N B:THR161 4.5 27.4 1.0
CA B:HIS181 4.5 24.7 1.0
N B:TYR180 4.7 21.4 1.0
N B:GLY159 4.7 22.8 1.0
CE1 B:TYR180 4.7 26.3 1.0
C B:LYS160 4.9 27.0 1.0
CD B:LYS160 4.9 30.9 1.0
C B:GLY179 5.0 20.3 1.0

Chlorine binding site 3 out of 4 in 4qca

Go back to Chlorine Binding Sites List in 4qca
Chlorine binding site 3 out of 4 in the Crystal Structure of Vaccinia Virus Uracil-Dna Glycosylase Mutant R167AD4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Vaccinia Virus Uracil-Dna Glycosylase Mutant R167AD4 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:41.1
occ:1.00
 O C:HOH541 2.8 40.9 1.0
N C:LYS160 3.1 23.2 1.0
N C:HIS181 3.3 29.0 1.0
CA C:TYR180 3.6 25.9 1.0
CD1 C:TYR180 3.7 29.5 1.0
CA C:GLY159 3.7 21.0 1.0
O C:HOH490 3.8 31.6 1.0
C C:GLY159 3.8 21.9 1.0
CB C:LYS160 3.9 25.5 1.0
CG C:LYS160 3.9 26.9 1.0
C C:TYR180 3.9 27.1 1.0
CA C:LYS160 4.0 24.4 1.0
CB C:HIS181 4.1 33.3 1.0
CB C:TYR180 4.2 26.8 1.0
O C:GLY179 4.3 21.2 1.0
CA C:HIS181 4.3 31.6 1.0
CG C:TYR180 4.4 28.2 1.0
N C:THR161 4.4 25.6 1.0
CE1 C:TYR180 4.6 30.4 1.0
N C:GLY159 4.6 20.1 1.0
CB C:ALA184 4.6 46.9 1.0
N C:TYR180 4.6 24.2 1.0
C C:LYS160 4.8 24.7 1.0
C C:GLY179 4.9 22.8 1.0
CD C:LYS160 5.0 27.5 1.0

Chlorine binding site 4 out of 4 in 4qca

Go back to Chlorine Binding Sites List in 4qca
Chlorine binding site 4 out of 4 in the Crystal Structure of Vaccinia Virus Uracil-Dna Glycosylase Mutant R167AD4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Vaccinia Virus Uracil-Dna Glycosylase Mutant R167AD4 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl303

b:39.1
occ:1.00
 N D:LYS160 3.1 23.9 1.0
N D:HIS181 3.2 27.6 1.0
CA D:TYR180 3.6 26.6 1.0
O D:HOH448 3.7 29.2 1.0
CA D:GLY159 3.7 23.0 1.0
CD1 D:TYR180 3.8 30.3 1.0
C D:TYR180 3.9 26.7 1.0
C D:GLY159 3.9 23.4 1.0
CB D:HIS181 3.9 31.2 1.0
CB D:LYS160 3.9 25.8 1.0
CA D:LYS160 4.1 24.8 1.0
CA D:HIS181 4.2 29.5 1.0
CG D:LYS160 4.2 26.7 1.0
CB D:TYR180 4.3 27.6 1.0
O D:GLY179 4.4 22.6 1.0
CB D:ALA184 4.4 38.0 1.0
N D:THR161 4.4 25.3 1.0
CG D:TYR180 4.5 29.1 1.0
N D:GLY159 4.5 23.3 1.0
N D:TYR180 4.7 24.7 1.0
CE1 D:TYR180 4.8 31.0 1.0
C D:LYS160 4.8 25.2 1.0
C D:GLY179 5.0 24.5 1.0

Reference:

D.Sartmatova, T.Nash, N.Schormann, M.Nuth, R.Ricciardi, S.Banerjee, D.Chattopadhyay. Crystallization and Preliminary X-Ray Diffraction Analysis of Three Recombinant Mutants of Vaccinia Virus Uracil Dna Glycosylase. Acta Crystallogr.,Sect.F V. 69 295 2013.
ISSN: ISSN 1744-3091
PubMed: 23519808
DOI: 10.1107/S1744309113002716
Page generated: Sat Dec 12 11:05:05 2020

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