Fluorine in PDB 3r3v: Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate

Enzymatic activity of Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate

All present enzymatic activity of Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate:
3.8.1.3;

Protein crystallography data

The structure of Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate, PDB code: 3r3v was solved by P.W.Y.Chan, A.F.Yakunin, E.A.Edwards, E.F.Pai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	19.08 / 1.50
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	41.890, 79.320, 84.960, 90.00, 103.43, 90.00
*R / R_free (%)*	18.4 / 22.3

Other elements in 3r3v:

The structure of Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate also contains other interesting chemical elements:

Chlorine	(Cl)	4 atoms
Calcium	(Ca)	1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate (pdb code 3r3v). 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 Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate, PDB code: 3r3v:

Fluorine binding site 1 out of 1 in 3r3v

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Fluorine Binding Sites List in 3r3v

Fluorine binding site 1 out of 1 in the Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate

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 Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F305 b:19.0 occ:1.00	F	A:FAH305	0.0	19.0	1.0
	CH3	A:FAH305	1.4	14.5	1.0
	C	A:FAH305	2.3	13.4	1.0
	O	A:FAH305	2.5	17.9	1.0
	NE2	A:HIS155	3.0	12.0	1.0
	CE1	A:HIS155	3.2	11.9	1.0
	OH	A:TYR219	3.3	7.2	1.0
	NE1	A:TRP156	3.3	10.3	1.0
	OXT	A:FAH305	3.4	13.0	1.0
	ND2	A:ASN110	3.8	8.1	1.0
	CD1	A:ILE253	3.8	14.0	1.0
	CH2	A:TRP185	4.1	7.8	1.0
	CD1	A:TRP156	4.2	8.6	1.0
	CE2	A:TRP156	4.3	9.7	1.0
	CD2	A:HIS155	4.3	11.4	1.0
	CZ	A:TYR219	4.4	8.0	1.0
	CG	A:ASN110	4.5	5.7	1.0
	CE1	A:TYR219	4.5	6.4	1.0
	CZ2	A:TRP156	4.5	14.1	1.0
	CZ3	A:TRP185	4.5	9.8	1.0
	ND1	A:HIS155	4.5	12.4	1.0
	O	A:HOH477	4.6	18.0	1.0
	OD1	A:ASN110	4.6	6.2	1.0
	CZ2	A:TRP185	4.7	8.2	1.0

Reference:

P.W.Chan, A.F.Yakunin, E.A.Edwards, E.F.Pai. Mapping the Reaction Coordinates of Enzymatic Defluorination. J.Am.Chem.Soc. V. 133 7461 2011.
ISSN: ISSN 0002-7863
PubMed: 21510690
DOI: 10.1021/JA200277D

Page generated: Wed Jul 31 22:13:12 2024

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