Fluorine in PDB 6fw9: Crystal Structure of L-Tryptophan Oxidase Vioa From Chromobacterium Violaceum in Complex with 6-Fluoro-L-Tryptophan

Enzymatic activity of Crystal Structure of L-Tryptophan Oxidase Vioa From Chromobacterium Violaceum in Complex with 6-Fluoro-L-Tryptophan

All present enzymatic activity of Crystal Structure of L-Tryptophan Oxidase Vioa From Chromobacterium Violaceum in Complex with 6-Fluoro-L-Tryptophan:
1.4.3.23;

Protein crystallography data

The structure of Crystal Structure of L-Tryptophan Oxidase Vioa From Chromobacterium Violaceum in Complex with 6-Fluoro-L-Tryptophan, PDB code: 6fw9 was solved by H.E.Lai, M.Morgan, S.Moore, P.Freemont, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	63.86 / 2.74
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	151.478, 174.322, 93.821, 90.00, 90.00, 90.00
*R / R_free (%)*	19.7 / 26.1

Other elements in 6fw9:

The structure of Crystal Structure of L-Tryptophan Oxidase Vioa From Chromobacterium Violaceum in Complex with 6-Fluoro-L-Tryptophan also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of L-Tryptophan Oxidase Vioa From Chromobacterium Violaceum in Complex with 6-Fluoro-L-Tryptophan (pdb code 6fw9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of L-Tryptophan Oxidase Vioa From Chromobacterium Violaceum in Complex with 6-Fluoro-L-Tryptophan, PDB code: 6fw9:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 6fw9

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Fluorine Binding Sites List in 6fw9

Fluorine binding site 1 out of 3 in the Crystal Structure of L-Tryptophan Oxidase Vioa From Chromobacterium Violaceum in Complex with 6-Fluoro-L-Tryptophan

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 L-Tryptophan Oxidase Vioa From Chromobacterium Violaceum in Complex with 6-Fluoro-L-Tryptophan within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:F502 b:0.4 occ:1.00	FAP	B:FT6502	0.0	0.4	1.0
	CH2	B:FT6502	1.4	0.7	1.0
	CZ3	B:FT6502	2.4	90.7	1.0
	CZ2	B:FT6502	2.4	98.8	1.0
	CB	B:ALA145	2.9	79.6	1.0
	CD1	B:LEU265	3.6	84.2	1.0
	CE3	B:FT6502	3.6	88.4	1.0
	CE2	B:FT6502	3.6	96.8	1.0
	CD2	B:FT6502	4.1	90.2	1.0
	CG2	B:ILE159	4.3	92.0	1.0
	CA	B:ALA145	4.4	78.3	1.0
	CD1	B:ILE159	4.5	85.7	1.0
	N	B:ALA145	4.8	70.8	1.0
	CG1	B:ILE159	4.8	86.4	1.0
	NE1	B:FT6502	4.8	89.8	1.0
	CD2	B:TYR143	4.9	73.0	1.0
	OD2	B:ASP311	4.9	67.9	1.0
	C	B:ALA145	5.0	78.5	1.0

Fluorine binding site 2 out of 3 in 6fw9

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Fluorine Binding Sites List in 6fw9

Fluorine binding site 2 out of 3 in the Crystal Structure of L-Tryptophan Oxidase Vioa From Chromobacterium Violaceum in Complex with 6-Fluoro-L-Tryptophan

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of L-Tryptophan Oxidase Vioa From Chromobacterium Violaceum in Complex with 6-Fluoro-L-Tryptophan within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F502 b:64.4 occ:0.50	FAP	A:FT6502	0.0	64.4	0.5
	CH2	A:FT6502	1.4	61.5	0.5
	CZ2	A:FT6502	2.3	60.8	0.5
	CZ3	A:FT6502	2.4	64.0	0.5
	CZ2	A:FT6502	2.6	63.4	0.5
	CB	A:ALA145	3.1	50.0	1.0
	CD1	A:ILE159	3.2	62.3	1.0
	FAP	A:FT6502	3.2	58.0	0.5
	CH2	A:FT6502	3.3	60.6	0.5
	CE2	A:FT6502	3.6	62.6	0.5
	CE2	A:FT6502	3.6	63.2	0.5
	CE3	A:FT6502	3.6	63.4	0.5
	CD1	A:LEU265	3.8	60.6	1.0
	CD1	A:ILE151	4.0	76.2	1.0
	NE1	A:FT6502	4.0	62.5	0.5
	CD2	A:FT6502	4.1	63.6	0.5
	CG1	A:ILE159	4.3	61.7	1.0
	CG2	A:ILE159	4.3	58.6	1.0
	CA	A:ALA145	4.5	46.3	1.0
	CZ3	A:FT6502	4.6	56.0	0.5
	C	A:ALA145	4.8	54.6	1.0
	NE1	A:FT6502	4.8	58.8	0.5
	CD2	A:FT6502	4.9	62.7	0.5
	CB	A:ILE159	4.9	61.3	1.0

Fluorine binding site 3 out of 3 in 6fw9

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Fluorine Binding Sites List in 6fw9

Fluorine binding site 3 out of 3 in the Crystal Structure of L-Tryptophan Oxidase Vioa From Chromobacterium Violaceum in Complex with 6-Fluoro-L-Tryptophan

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of L-Tryptophan Oxidase Vioa From Chromobacterium Violaceum in Complex with 6-Fluoro-L-Tryptophan within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F502 b:58.0 occ:0.50	FAP	A:FT6502	0.0	58.0	0.5
	CH2	A:FT6502	1.4	60.6	0.5
	CZ3	A:FT6502	1.5	64.0	0.5
	CE3	A:FT6502	2.3	63.4	0.5
	CZ3	A:FT6502	2.4	56.0	0.5
	CZ2	A:FT6502	2.4	63.4	0.5
	CH2	A:FT6502	2.7	61.5	0.5
	OD2	A:ASP311	2.8	67.3	1.0
	FAP	A:FT6502	3.2	64.4	0.5
	CB	A:ALA145	3.4	50.0	1.0
	CD2	A:TYR143	3.5	53.4	1.0
	CG	A:ASP311	3.6	60.6	1.0
	CE3	A:FT6502	3.6	56.4	0.5
	CD2	A:FT6502	3.6	63.6	0.5
	CE2	A:FT6502	3.6	63.2	0.5
	O	A:HOH605	3.8	58.5	1.0
	CB	A:TYR143	3.9	51.7	1.0
	CZ2	A:FT6502	3.9	60.8	0.5
	CB	A:ASP311	4.1	46.0	1.0
	CD2	A:FT6502	4.1	62.7	0.5
	CG	A:TYR143	4.2	53.3	1.0
	CE2	A:FT6502	4.2	62.6	0.5
	CD1	A:LEU265	4.3	60.6	1.0
	O	A:HOH615	4.3	69.7	1.0
	N	A:ALA145	4.3	56.1	1.0
	OD1	A:ASP311	4.4	67.1	1.0
	CE2	A:TYR143	4.5	48.6	1.0
	CA	A:ALA145	4.5	46.3	1.0
	CA	A:TYR143	4.6	48.0	1.0
	C	A:TYR143	4.8	50.3	1.0
	NE1	A:FT6502	4.9	62.5	0.5
	CG	A:FT6502	4.9	61.8	0.5
	N	A:ASP144	4.9	45.7	1.0

Reference:

H.E.Lai, A.M.C.Obled, S.M.Chee, R.M.Morgan, S.V.Sharma, S.J.Moore, K.M.Polizzi, R.J.M.Goss, P.S.Freemont. A Genochemetic Strategy For Derivatization of the Violacein Natural Product Scaffold Biorxiv 2019.
DOI: 10.1101/202523

Page generated: Thu Aug 1 20:16:03 2024

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