Chlorine in PDB 4ws5: Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Nitrouracil, Form III

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

The structure of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Nitrouracil, Form III, PDB code: 4ws5 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)	39.52 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.520, 60.020, 74.880, 90.00, 90.00, 90.00
R / Rfree (%)	12 / 16

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Nitrouracil, Form III (pdb code 4ws5). 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 III, PDB code: 4ws5:
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 III


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 III within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:27.2 occ:1.00 NE A:ARG133 3.0 22.0 1.0 O A:HOH644 3.1 40.3 1.0 O A:HOH612 3.1 33.8 1.0 N A:ARG41 3.2 16.4 1.0 CG A:ARG133 3.6 13.6 1.0 NH1 A:ARG133 3.7 29.6 1.0 CA A:ARG40 3.7 14.7 1.0 CZ A:ARG133 3.8 29.2 1.0 CD A:ARG133 3.9 17.4 1.0 CB A:ARG41 3.9 16.6 1.0 C A:ARG40 3.9 15.2 1.0 NE A:ARG41 4.0 42.8 1.0 CA A:ARG41 4.1 15.3 1.0 CB A:ARG40 4.1 13.7 1.0 CG A:ARG41 4.2 23.3 1.0 O A:ARG41 4.3 14.8 1.0 CD A:PRO134 4.4 14.8 1.0 NH1 A:ARG41 4.4 77.3 1.0 CG A:ARG40 4.5 14.8 1.0 CZ A:ARG41 4.5 53.9 1.0 O A:GLY39 4.6 20.8 1.0 C A:ARG41 4.6 13.6 1.0 CD A:ARG41 4.8 29.4 1.0 CG A:PRO134 4.9 20.1 1.0 N A:ARG40 5.0 15.9 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 III


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 III within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:27.8 occ:1.00 OH A:TYR107 2.8 31.1 1.0 N A:TRP224 3.2 12.2 1.0 O A:HOH583 3.3 27.1 1.0 O A:ILE222 3.6 14.4 1.0 CD1 A:TRP224 3.6 11.9 1.0 CE2 A:TYR107 3.7 17.1 1.0 CZ A:TYR107 3.7 24.2 1.0 CB A:TRP224 3.7 11.2 1.0 CA A:ASP223 4.0 12.5 1.0 CA A:TRP224 4.0 11.2 1.0 C A:ASP223 4.0 13.2 1.0 CG A:TRP224 4.1 10.4 1.0 OD1 A:ASP223 4.2 17.2 1.0 ND2 A:ASN211 4.3 12.0 1.0 CD2 A:LEU105 4.4 18.7 1.0 N A:ARG225 4.4 12.7 1.0 C A:ILE222 4.6 15.6 1.0 CD1 A:LEU105 4.6 16.0 1.0 O A:HOH563 4.6 21.1 1.0 C A:TRP224 4.6 12.2 1.0 O A:HOH611 4.8 29.8 1.0 N A:ASP223 4.8 14.2 1.0 NE1 A:TRP224 4.8 11.1 1.0 CG A:ASP223 5.0 17.2 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