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Chlorine in PDB 4ws6: Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Aminouracil, Form I

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Aminouracil, Form I

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

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Aminouracil, Form I, PDB code: 4ws6 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) 25.42 / 1.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 38.958, 63.976, 45.225, 90.00, 112.36, 90.00
R / Rfree (%) 12.8 / 14.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Aminouracil, Form I (pdb code 4ws6). 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-Aminouracil, Form I, PDB code: 4ws6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4ws6

Go back to Chlorine Binding Sites List in 4ws6
Chlorine binding site 1 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Aminouracil, 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-Aminouracil, Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:45.5
occ:1.00
O A:HOH542 3.2 28.5 1.0
NH1 A:ARG40 3.3 12.7 1.0
CG A:ARG40 3.6 8.7 1.0
CD A:ARG40 3.7 10.1 1.0
CZ A:ARG40 4.3 11.2 1.0
O A:HOH713 4.5 55.0 1.0
NE A:ARG40 4.5 10.8 1.0
NH2 A:ARG133 4.5 14.1 1.0
O A:ALA38 4.5 13.4 1.0
O A:HOH482 4.8 30.7 1.0
O A:HOH455 4.8 18.2 1.0
O A:GLY39 4.9 10.6 1.0

Chlorine binding site 2 out of 2 in 4ws6

Go back to Chlorine Binding Sites List in 4ws6
Chlorine binding site 2 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Aminouracil, 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-Aminouracil, Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl311

b:14.7
occ:1.00
O A:HOH455 3.0 18.2 1.0
O A:HOH622 3.1 15.7 1.0
N A:ARG41 3.2 8.9 1.0
NE A:ARG133 3.3 10.2 1.0
O A:HOH551 3.6 32.3 1.0
CG A:ARG133 3.8 7.7 1.0
CA A:ARG40 3.8 7.8 1.0
CB A:ARG41 3.9 11.2 1.0
NH2 A:ARG133 4.0 14.1 1.0
C A:ARG40 4.0 8.3 1.0
CA A:ARG41 4.0 9.0 1.0
CZ A:ARG133 4.1 11.6 1.0
CD A:PRO134 4.1 8.6 1.0
CD A:ARG133 4.2 9.1 1.0
CG A:ARG41 4.2 13.6 1.0
CB A:ARG40 4.3 7.6 1.0
CG A:PRO134 4.4 9.5 1.0
O A:ARG41 4.4 8.8 1.0
C1 A:DMS305 4.4 17.6 1.0
C A:ARG41 4.6 7.8 1.0
O A:GLY39 4.6 10.6 1.0
CB A:PRO134 4.7 10.0 1.0
CG A:ARG40 4.8 8.7 1.0
N A:PRO134 4.8 7.6 1.0
O A:PRO134 5.0 9.4 1.0

Reference:

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
Page generated: Sat Dec 12 11:18:45 2020

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