Chlorine in PDB 4wrw: Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase, Form IV

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase, Form IV:
3.2.2.27;

The structure of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase, Form IV, PDB code: 4wrw was solved by S.M.Arif, K.Geethanandan, P.Mishra, A.Surolia, U.Varshney, M.Vijayan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.24 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.710, 63.910, 86.470, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 20.2

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

Chlorine binding site 1 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase, Form IV


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 Mycobacterium Tuberculosis Uracil-Dna Glycosylase, Form IV within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:28.2 occ:1.00 OG A:SER93 3.2 17.7 1.0 N A:SER93 3.2 15.0 1.0 CB A:SER93 3.6 16.9 1.0 CE1 A:TYR70 3.9 14.2 1.0 N A:ARG92 3.9 17.5 1.0 CA A:SER93 4.0 15.4 1.0 O A:HOH447 4.0 30.6 1.0 CB A:PRO91 4.0 14.8 1.0 C A:ARG92 4.2 15.1 1.0 CA A:ARG92 4.3 19.4 1.0 CD1 A:TYR70 4.3 14.9 1.0 CB A:ARG92 4.4 20.5 1.0 CD2 A:LEU195 4.4 24.6 1.0 C A:PRO91 4.5 16.5 1.0 CD1 A:LEU195 4.6 25.3 1.0 O1 A:GOL307 4.6 22.3 0.5 CA A:PRO91 4.7 14.6 1.0 O A:HOH436 4.8 26.9 1.0 CG A:LEU195 4.9 23.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase, Form IV


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 Mycobacterium Tuberculosis Uracil-Dna Glycosylase, Form IV within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:31.3 occ:1.00 NE A:ARG133 3.0 34.7 1.0 N A:ARG41 3.2 19.9 1.0 O2 A:GOL306 3.3 54.8 1.0 NH2 A:ARG133 3.4 43.1 1.0 CZ A:ARG133 3.7 39.5 1.0 CD A:ARG41 3.7 36.1 1.0 CA A:ARG40 3.9 19.8 1.0 CG A:ARG41 3.9 29.0 1.0 CB A:ARG41 3.9 25.0 1.0 CG A:ARG133 4.0 25.5 1.0 C A:ARG40 4.0 20.8 1.0 CD A:ARG133 4.1 30.3 1.0 C2 A:GOL306 4.1 58.7 1.0 CA A:ARG41 4.1 21.3 1.0 CB A:ARG40 4.3 20.3 1.0 O A:HOH420 4.4 50.1 1.0 O A:GLY39 4.5 22.0 1.0 CD A:PRO134 4.5 16.5 1.0 O A:ARG41 4.6 17.7 1.0 CG A:ARG40 4.6 20.6 1.0 C A:ARG41 4.8 18.1 1.0 NE A:ARG41 5.0 40.2 1.0 NH1 A:ARG133 5.0 36.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase, Form IV


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 Mycobacterium Tuberculosis Uracil-Dna Glycosylase, Form IV within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:44.7 occ:1.00 N A:TRP90 3.5 16.1 1.0 CA A:PRO89 3.7 17.9 1.0 O A:HOH426 3.8 42.2 1.0 CB A:PRO89 4.0 19.5 1.0 CD2 A:TRP90 4.0 19.5 1.0 CG A:TRP90 4.1 19.0 1.0 C A:PRO89 4.2 17.5 1.0 CE3 A:TRP90 4.2 19.5 1.0 CB A:TRP90 4.3 18.3 1.0 CA A:TRP90 4.5 16.4 1.0 CE2 A:TRP90 4.6 20.0 1.0 CD1 A:TRP90 4.7 21.6 1.0 CZ3 A:TRP90 4.8 20.8 1.0 NE1 A:TRP90 4.9 22.4 1.0

S.M.Arif, K.Geethanandan, P.Mishra, A.Surolia, U.Varshney, M.Vijayan. Structural Plasticity in Mycobacterium Tuberculosis Uracil-Dna Glycosylase (Mtung) and Its Functional Implications. Acta Crystallogr.,Sect.D V. 71 1514 2015.
ISSN: ESSN 1399-0047
PubMed: 26143923
DOI: 10.1107/S1399004715009311