Chlorine in PDB 4ws1: Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form II

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form II

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

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form II, PDB code: 4ws1 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)*	36.86 / 1.40
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	69.710, 43.640, 67.600, 90.00, 99.10, 90.00
*R / R_free (%)*	13.3 / 17.6

Other elements in 4ws1:

The structure of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form II also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form II (pdb code 4ws1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form II, PDB code: 4ws1:

Chlorine binding site 1 out of 1 in 4ws1

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Chlorine Binding Sites List in 4ws1

Chlorine binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), 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-Fluorouracil (Ab), Form II within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl309 b:18.2 occ:1.00	OG	A:SER93	3.2	11.0	1.0
	O	A:HOH489	3.2	48.0	1.0
	N	A:SER93	3.3	6.3	1.0
	O	A:HOH522	3.5	18.1	1.0
	CB	A:SER93	3.6	8.0	1.0
	O	A:HOH575	3.7	25.6	1.0
	CE1	A:TYR70	3.8	6.1	1.0
	N	A:ARG92	3.8	7.6	1.0
	CA	A:SER93	4.0	6.6	1.0
	CD1	A:TYR70	4.1	5.3	1.0
	CB	A:PRO91	4.1	7.0	1.0
	C	A:ARG92	4.2	7.1	1.0
	CD	A:PRO194	4.2	17.5	1.0
	CB	A:ARG92	4.2	11.8	1.0
	CA	A:ARG92	4.3	7.8	1.0
	C	A:PRO91	4.4	6.4	1.0
	CA	A:PRO91	4.7	5.8	1.0
	CG	A:PRO194	4.8	15.3	1.0
	CZ	A:TYR70	5.0	5.6	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: Fri Jul 26 03:03:04 2024

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