Fluorine in PDB 4v20: The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex

Enzymatic activity of The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex

All present enzymatic activity of The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex:
3.2.1.91;

Protein crystallography data

The structure of The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex, PDB code: 4v20 was solved by O.V.Moroz, M.Maranta, T.Shaghasi, P.V.Harris, K.S.Wilson, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	43.49 / 1.50
*Space group*	P 2₁ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	79.560, 130.780, 46.120, 90.00, 90.00, 90.00
*R / R_free (%)*	13.201 / 15.829

Other elements in 4v20:

The structure of The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex (pdb code 4v20). 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 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex, PDB code: 4v20:

Fluorine binding site 1 out of 1 in 4v20

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Fluorine Binding Sites List in 4v20

Fluorine binding site 1 out of 1 in the The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F1443 b:18.8 occ:0.75	F1	A:U631443	0.0	18.8	0.8
	C2'	A:U631443	1.4	14.3	0.8
	C3'	A:U631443	2.4	12.9	0.8
	C1'	A:U631443	2.4	14.2	0.8
	O	A:HOH2504	2.5	23.8	1.0
	O	A:HOH2732	2.6	26.7	1.0
	O1'	A:U631443	2.9	14.7	0.8
	O3'	A:U631443	3.0	15.3	0.8
	CE2	A:TYR388	3.6	17.7	1.0
	O5'	A:U631443	3.7	11.3	0.8
	C4'	A:U631443	3.8	11.6	0.8
	O	A:HOH2625	3.9	34.7	1.0
	CD2	A:TYR388	4.0	17.2	1.0
	C5'	A:U631443	4.2	11.8	0.8
	O	A:HOH2626	4.5	53.6	1.0
	OH	A:TYR252	4.5	16.0	1.0
	OD2	A:ASP259	4.7	16.7	1.0
	OD1	A:ASP346	4.7	24.8	1.0
	CZ	A:TYR388	4.7	17.7	1.0
	O4'	A:U631443	4.9	11.5	0.8
	OD1	A:ASP259	4.9	12.9	1.0
	OH	A:TYR388	5.0	19.9	1.0
	CG	A:ASP259	5.0	13.5	1.0

Reference:

O.V.Moroz, M.Maranta, T.Shaghasi, P.V.Harris, K.S.Wilson, G.J.Davies. The Three-Dimensional Structure of the Cellobiohydrolase CEL7A From Aspergillus Fumigatus at 1.5 A Resolution Acta Crystallogr.,Sect.F V. 71 114 2015.
ISSN: ISSN 1744-3091
PubMed: 25615982
DOI: 10.1107/S2053230X14027307

Page generated: Thu Aug 1 06:17:23 2024

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