Fluorine in PDB 2e25: The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate

Enzymatic activity of The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate

All present enzymatic activity of The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate:
3.5.2.3;

Protein crystallography data

The structure of The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate, PDB code: 2e25 was solved by M.Lee, M.J.Maher, J.M.Guss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	30.00 / 2.70
*Space group*	P 4₁ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	72.610, 72.610, 176.120, 90.00, 90.00, 90.00
*R / R_free (%)*	21.8 / 25.7

Other elements in 2e25:

The structure of The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate (pdb code 2e25). 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 The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate, PDB code: 2e25:

Fluorine binding site 1 out of 1 in 2e25

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Fluorine Binding Sites List in 2e25

Fluorine binding site 1 out of 1 in the The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F410 b:85.3 occ:1.00	F5	A:FOT410	0.0	85.3	1.0
	C5	A:FOT410	1.3	85.2	1.0
	C6	A:FOT410	2.5	84.8	1.0
	C4	A:FOT410	2.5	85.0	1.0
	O6	A:FOT410	2.8	83.8	1.0
	ND2	A:ASN44	2.9	56.0	1.0
	C41	A:FOT410	3.0	84.3	1.0
	O42	A:FOT410	3.0	78.9	1.0
	CE1	A:HIS18	3.6	61.7	1.0
	O	A:HOH420	3.6	63.5	1.0
	N1	A:FOT410	3.7	85.0	1.0
	N3	A:FOT410	3.7	84.0	1.0
	CE2	A:TYR104	3.9	67.5	1.0
	O41	A:FOT410	3.9	86.2	1.0
	NE2	A:HIS18	4.0	64.0	1.0
	CG	A:ASN44	4.1	59.3	1.0
	C2	A:FOT410	4.1	84.3	1.0
	OQ2	A:KCX102	4.1	58.0	1.0
	OH	A:TYR104	4.3	67.6	1.0
	ZN	A:ZN401	4.4	68.3	1.0
	ND1	A:HIS18	4.5	59.6	1.0
	CZ	A:TYR104	4.5	67.8	1.0
	ZN	A:ZN400	4.8	68.0	1.0
	CD2	A:TYR104	4.8	67.8	1.0
	OD1	A:ASN44	4.9	56.9	1.0
	CB	A:ASN44	4.9	59.8	1.0

Reference:

M.Lee, M.J.Maher, J.M.Guss. Structure of the T109S Mutant of Escherichia Coli Dihydroorotase Complexed with the Inhibitor 5-Fluoroorotate: Catalytic Activity Is Reflected By the Crystal Form Acta Crystallogr.,Sect.F V. 63 154 2007.
ISSN: ESSN 1744-3091
PubMed: 17329804
DOI: 10.1107/S1744309107004009

Page generated: Wed Jul 31 14:06:47 2024

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