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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 / Rfree (%) 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

Go back to 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

Go back to 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

Go back to 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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