Chlorine in PDB 4ws4: Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Nitrouracil, Form I

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Nitrouracil, Form I:
3.2.2.27;

The structure of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Nitrouracil, Form I, PDB code: 4ws4 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)	32.07 / 1.18
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.024, 64.117, 45.131, 90.00, 112.46, 90.00
R / Rfree (%)	12.9 / 16.4

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Nitrouracil, Form I (pdb code 4ws4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Nitrouracil, Form I, PDB code: 4ws4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Nitrouracil, Form I


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 in Complex with 5-Nitrouracil, Form I within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl309 b:14.5 occ:1.00 O A:HOH468 3.0 19.2 1.0 O A:HOH584 3.1 15.2 1.0 N A:ARG41 3.2 9.2 1.0 NE A:ARG133 3.3 10.9 1.0 CG A:ARG133 3.8 8.2 1.0 CA A:ARG40 3.8 8.5 1.0 CB A:ARG41 3.9 10.5 1.0 C A:ARG40 4.0 8.9 1.0 NH2 A:ARG133 4.0 15.2 1.0 CA A:ARG41 4.1 9.1 1.0 CD A:PRO134 4.1 8.1 1.0 CZ A:ARG133 4.1 12.2 1.0 CD A:ARG133 4.2 9.7 1.0 C2 A:DMS305 4.2 15.0 1.0 CG A:ARG41 4.3 13.3 1.0 CB A:ARG40 4.3 7.7 1.0 CG A:PRO134 4.4 9.1 1.0 O A:ARG41 4.5 8.9 1.0 C A:ARG41 4.6 7.9 1.0 O A:GLY39 4.7 11.3 1.0 CB A:PRO134 4.7 9.9 1.0 CG A:ARG40 4.8 8.8 1.0 N A:PRO134 4.8 7.5 1.0 O A:PRO134 4.9 8.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Nitrouracil, Form I


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 in Complex with 5-Nitrouracil, Form I within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl310 b:46.0 occ:1.00 O A:HOH518 3.3 28.4 1.0 NH1 A:ARG40 3.4 13.4 1.0 CG A:ARG40 3.6 8.8 1.0 CD A:ARG40 3.8 10.1 1.0 CZ A:ARG40 4.4 11.7 1.0 NH2 A:ARG133 4.4 15.2 1.0 O A:ALA38 4.5 14.3 1.0 NE A:ARG40 4.6 11.9 1.0 O A:HOH524 4.6 53.6 1.0 O A:HOH471 4.7 24.9 1.0 O A:HOH468 4.7 19.2 1.0 O A:HOH690 4.7 29.7 0.5 O A:GLY39 4.8 11.3 1.0 C A:GLY39 5.0 9.3 1.0 CZ A:ARG133 5.0 12.2 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