Fluorine in PDB 8gvz: Crystal Structure of the Human Dihydroorotase Domain in Complex with the Anticancer Drug 5-Fluorouracil

Enzymatic activity of Crystal Structure of the Human Dihydroorotase Domain in Complex with the Anticancer Drug 5-Fluorouracil

All present enzymatic activity of Crystal Structure of the Human Dihydroorotase Domain in Complex with the Anticancer Drug 5-Fluorouracil:
3.5.2.3;

Protein crystallography data

The structure of Crystal Structure of the Human Dihydroorotase Domain in Complex with the Anticancer Drug 5-Fluorouracil, PDB code: 8gvz was solved by H.W.Liu, P.C.Yang, H.Y.Huang, C.Y.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	28.78 / 1.97
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	81.775, 157.788, 61.828, 90, 90, 90
*R / R_free (%)*	17.7 / 21.5

Other elements in 8gvz:

The structure of Crystal Structure of the Human Dihydroorotase Domain in Complex with the Anticancer Drug 5-Fluorouracil also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Human Dihydroorotase Domain in Complex with the Anticancer Drug 5-Fluorouracil (pdb code 8gvz). 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 the Human Dihydroorotase Domain in Complex with the Anticancer Drug 5-Fluorouracil, PDB code: 8gvz:

Fluorine binding site 1 out of 1 in 8gvz

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Fluorine Binding Sites List in 8gvz

Fluorine binding site 1 out of 1 in the Crystal Structure of the Human Dihydroorotase Domain in Complex with the Anticancer Drug 5-Fluorouracil

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 the Human Dihydroorotase Domain in Complex with the Anticancer Drug 5-Fluorouracil within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F1901 b:20.0 occ:1.00	F5	A:URF1901	0.0	20.0	1.0
	C5	A:URF1901	1.3	20.0	1.0
	C6	A:URF1901	2.3	20.0	1.0
	C4	A:URF1901	2.4	20.0	1.0
	NH2	A:ARG1475	2.5	20.3	1.0
	H6	A:URF1901	2.6	20.0	1.0
	NE2	A:HIS1690	2.7	22.7	1.0
	O4	A:URF1901	2.7	20.0	1.0
	CE1	A:HIS1690	2.9	24.1	1.0
	CD2	A:PHE1563	3.0	31.0	1.0
	CB	A:PHE1563	3.1	27.0	1.0
	CG	A:PHE1563	3.3	29.4	1.0
	O	A:PRO1702	3.3	21.5	1.0
	CZ	A:ARG1475	3.4	19.2	1.0
	NH1	A:ARG1475	3.4	20.2	1.0
	N3	A:URF1901	3.6	20.0	1.0
	N1	A:URF1901	3.6	20.0	1.0
	CD2	A:HIS1690	4.0	19.3	1.0
	CE2	A:PHE1563	4.0	28.8	1.0
	CB	A:ALA1688	4.1	14.7	1.0
	C2	A:URF1901	4.1	20.0	1.0
	ND1	A:HIS1690	4.2	22.7	1.0
	HN1	A:URF1901	4.3	20.0	1.0
	HN3	A:URF1901	4.3	20.0	1.0
	CD1	A:PHE1563	4.3	30.9	1.0
	CA	A:PHE1563	4.5	28.4	1.0
	C	A:PRO1702	4.5	20.4	1.0
	NE	A:ARG1475	4.6	19.5	1.0
	O	A:PHE1563	4.6	33.7	1.0
	ND2	A:ASN1505	4.7	21.2	1.0
	CG	A:HIS1690	4.7	20.0	1.0
	CA	A:ALA1688	4.8	19.9	1.0
	O	A:ALA1688	4.8	22.4	1.0
	C	A:ALA1688	4.9	21.6	1.0
	CZ	A:PHE1563	4.9	30.5	1.0
	CA	A:GLY1703	5.0	18.7	1.0

Reference:

E.S.Lin, Y.H.Huang, P.C.Yang, W.F.Peng, C.Y.Huang. Complexed Crystal Structure of the Dihydroorotase Domain of Human Cad Protein with the Anticancer Drug 5-Fluorouracil. Biomolecules V. 13 2023.
ISSN: ESSN 2218-273X
PubMed: 36671534
DOI: 10.3390/BIOM13010149

Page generated: Thu Dec 28 04:33:20 2023

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