Fluorine in PDB 4wry: Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil(B), Form I

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

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

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil(B), Form I, PDB code: 4wry 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)*	41.30 / 1.43
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	37.990, 63.390, 45.230, 90.00, 114.06, 90.00
*R / R_free (%)*	10.8 / 15.8

Other elements in 4wry:

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

Fluorine binding site 1 out of 1 in 4wry

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Fluorine Binding Sites List in 4wry

Fluorine binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis Uracil-Dna Glycosylase in Complex with 5-Fluorouracil(B), Form I

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(B), Form I within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F302 b:40.1 occ:1.00	F5	A:URF302	0.0	40.1	1.0
	C5	A:URF302	1.3	20.5	1.0
	C6	A:URF302	2.3	22.4	1.0
	C4	A:URF302	2.4	18.7	1.0
	O4	A:URF302	2.8	17.7	1.0
	CE1	A:HIS191	2.8	17.2	1.0
	NE2	A:HIS191	3.0	16.7	1.0
	N1	A:URF302	3.6	20.5	1.0
	N3	A:URF302	3.6	17.6	1.0
	CE1	A:PHE81	3.8	16.8	1.0
	OG	A:SER93	3.9	21.4	1.0
	C2	A:URF302	4.0	19.3	1.0
	ND1	A:HIS191	4.1	16.4	1.0
	O	A:HOH574	4.3	35.8	1.0
	CD2	A:HIS191	4.3	17.2	1.0
	O	A:HOH599	4.5	37.0	1.0
	CD1	A:PHE81	4.5	15.9	1.0
	CB	A:SER93	4.5	16.4	1.0
	CZ	A:PHE81	4.5	17.1	1.0
	O	A:ASP68	4.6	15.6	1.0
	CG	A:HIS191	4.9	15.8	1.0
	CE1	A:TYR70	4.9	18.0	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 06:30:35 2024

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