Fluorine 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:

Chlorine

(Cl)

1 atom

Fluorine Binding Sites:

The binding sites of Fluorine 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 Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil (Ab), Form II, PDB code: 4ws1:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 4ws1

Go back to

Fluorine Binding Sites List in 4ws1

Fluorine binding site 1 out of 2 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 Fluorine with other atoms in the F 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:F301 b:9.3 occ:0.50	F5	A:URF301	0.0	9.3	0.5
	N1	A:URF301	1.2	6.9	0.5
	C5	A:URF301	1.3	8.2	0.5
	C6	A:URF301	2.1	7.0	0.5
	C2	A:URF301	2.3	6.2	0.5
	C6	A:URF301	2.3	7.7	0.5
	C4	A:URF301	2.4	7.4	0.5
	O2	A:URF301	2.7	6.2	0.5
	CZ	A:TYR70	2.7	5.6	1.0
	O4	A:URF301	2.7	7.9	0.5
	CE2	A:TYR70	2.8	6.1	1.0
	CE1	A:TYR70	2.8	6.1	1.0
	CD2	A:TYR70	2.9	6.4	1.0
	CD1	A:TYR70	2.9	5.3	1.0
	CG	A:TYR70	2.9	6.0	1.0
	O	A:HOH617	3.2	6.9	1.0
	C5	A:URF301	3.3	7.6	0.5
	N3	A:URF301	3.5	6.0	0.5
	N	A:TYR70	3.5	4.6	1.0
	N1	A:URF301	3.5	7.0	0.5
	N3	A:URF301	3.5	6.3	0.5
	CA	A:PHE81	3.6	5.2	1.0
	OH	A:TYR70	3.6	7.1	1.0
	N	A:PHE81	3.6	5.3	1.0
	C4	A:URF301	4.0	6.7	0.5
	CB	A:TYR70	4.0	6.0	1.0
	C2	A:URF301	4.0	6.6	0.5
	CA	A:TYR70	4.1	5.0	1.0
	CD1	A:PHE81	4.1	5.8	1.0
	C	A:PRO69	4.4	6.5	1.0
	C	A:PHE81	4.4	4.8	1.0
	F5	A:URF301	4.4	9.8	0.5
	CG	A:PHE81	4.5	5.6	1.0
	CB	A:PHE81	4.6	5.5	1.0
	O	A:ASP68	4.6	6.6	1.0
	CE1	A:PHE81	4.6	6.1	1.0
	CA	A:PRO69	4.7	6.4	1.0
	O	A:HOH498	4.7	6.3	1.0
	O	A:PHE81	4.7	6.9	1.0
	C	A:SER80	4.8	5.5	1.0

Fluorine binding site 2 out of 2 in 4ws1

Go back to

Fluorine Binding Sites List in 4ws1

Fluorine binding site 2 out of 2 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 Fluorine with other atoms in the F binding site number 2 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:F301 b:9.8 occ:0.50	F5	A:URF301	0.0	9.8	0.5
	N1	A:URF301	1.2	7.0	0.5
	C5	A:URF301	1.3	7.6	0.5
	O	A:HOH626	1.9	20.3	0.5
	C6	A:URF301	2.0	7.7	0.5
	C6	A:URF301	2.3	7.0	0.5
	C2	A:URF301	2.3	6.6	0.5
	C4	A:URF301	2.4	6.7	0.5
	O2	A:URF301	2.8	6.4	0.5
	O4	A:URF301	2.8	7.2	0.5
	CE1	A:HIS191	2.9	9.8	1.0
	O	A:HOH600	3.0	27.5	1.0
	NE2	A:HIS191	3.0	7.8	1.0
	C5	A:URF301	3.3	8.2	0.5
	O	A:HOH575	3.5	25.6	1.0
	N3	A:URF301	3.5	6.3	0.5
	N1	A:URF301	3.5	6.9	0.5
	N3	A:URF301	3.6	6.0	0.5
	OG	A:SER93	3.8	11.0	1.0
	O	A:HOH626	3.8	22.8	0.5
	CE1	A:PHE81	3.9	6.1	1.0
	C4	A:URF301	4.0	7.4	0.5
	C2	A:URF301	4.0	6.2	0.5
	ND1	A:HIS191	4.1	8.1	1.0
	O	A:ASP68	4.1	6.6	1.0
	F5	A:URF301	4.4	9.3	0.5
	CD2	A:HIS191	4.4	7.4	1.0
	CB	A:SER93	4.5	8.0	1.0
	CZ	A:PHE81	4.6	6.5	1.0
	CD1	A:PHE81	4.6	5.8	1.0
	CG	A:HIS191	4.9	7.5	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: Thu Aug 1 06:32:02 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW

	© Copyright 2008-2020 by atomistry.com
Home \| Site Map \| Copyright \| Contact us \| Privacy