Chlorine in PDB 4ws7: Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Chlorouracil, Form II

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

The structure of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Chlorouracil, Form II, PDB code: 4ws7 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)	36.91 / 1.88
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.370, 43.780, 67.230, 90.00, 98.46, 90.00
R / Rfree (%)	14.2 / 18.2

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Chlorouracil, Form II (pdb code 4ws7). 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-Chlorouracil, Form II, PDB code: 4ws7:
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-Chlorouracil, Form II


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-Chlorouracil, Form II within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:34.1 occ:1.00 CL5 A:5UC301 0.0 34.1 1.0 C5 A:5UC301 1.8 23.3 1.0 C6 A:5UC301 2.7 22.6 1.0 C4 A:5UC301 2.9 21.8 1.0 CE1 A:HIS191 3.0 12.7 1.0 O4 A:5UC301 3.1 16.8 1.0 NE2 A:HIS191 3.3 13.4 1.0 OG A:SER93 3.8 11.7 1.0 N1 A:5UC301 3.9 18.9 1.0 N3 A:5UC301 4.1 19.2 1.0 ND1 A:HIS191 4.2 12.2 1.0 O A:ASP68 4.2 11.6 1.0 CL A:CL302 4.3 19.7 1.0 CE1 A:PHE81 4.4 10.5 1.0 C2 A:5UC301 4.5 21.4 1.0 CD2 A:HIS191 4.5 12.9 1.0 CB A:SER93 4.6 11.4 1.0 CG A:HIS191 5.0 11.8 1.0

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


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-Chlorouracil, Form II within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:19.7 occ:1.00 O A:HOH505 3.0 22.4 1.0 OG A:SER93 3.0 11.7 1.0 N A:SER93 3.3 11.6 1.0 CB A:SER93 3.5 11.4 1.0 CE1 A:TYR70 3.7 11.3 1.0 O A:HOH556 3.9 25.6 1.0 N A:ARG92 4.0 11.2 1.0 CD1 A:TYR70 4.0 11.8 1.0 CA A:SER93 4.0 11.6 1.0 C A:ARG92 4.2 12.6 1.0 CB A:PRO91 4.3 11.9 1.0 CB A:ARG92 4.3 18.2 1.0 CA A:ARG92 4.3 14.3 1.0 CL5 A:5UC301 4.3 34.1 1.0 C A:PRO91 4.5 10.4 1.0 C6 A:5UC301 4.7 22.6 1.0 CA A:PRO91 4.9 11.0 1.0 CZ A:TYR70 4.9 11.7 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