Atomistry » Fluorine » PDB 3vrs-3wyk » 3w8x
Atomistry »
  Fluorine »
    PDB 3vrs-3wyk »
      3w8x »

Fluorine in PDB 3w8x: The Complex Structure of Encm with Trifluorotriketide

Protein crystallography data

The structure of The Complex Structure of Encm with Trifluorotriketide, PDB code: 3w8x was solved by R.Teufel, A.Miyanaga, F.Stull, Q.Michaudel, G.Louie, J.P.Noel, P.S.Baran, B.Palfey, B.S.Moore, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.52 / 1.82
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 71.246, 85.175, 79.363, 90.00, 99.47, 90.00
R / Rfree (%) 15.3 / 19.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Complex Structure of Encm with Trifluorotriketide (pdb code 3w8x). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the The Complex Structure of Encm with Trifluorotriketide, PDB code: 3w8x:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 3w8x

Go back to Fluorine Binding Sites List in 3w8x
Fluorine binding site 1 out of 6 in the The Complex Structure of Encm with Trifluorotriketide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Complex Structure of Encm with Trifluorotriketide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:33.9
occ:0.72
 F1 A:FTK601 0.0 33.9 0.7
C12 A:FTK601 1.3 31.2 0.7
F2 A:FTK601 1.9 39.5 0.7
F3 A:FTK601 1.9 34.0 0.7
C11 A:FTK601 2.5 21.6 0.7
O11 A:FTK601 3.2 28.1 0.7
C6 A:FAD600 3.4 13.6 1.0
CE A:MET80 3.5 29.9 1.0
C10 A:FTK601 3.7 23.2 0.7
C5X A:FAD600 3.7 13.1 1.0
C7 A:FAD600 3.7 14.9 1.0
N5 A:FAD600 4.1 11.6 1.0
C7M A:FAD600 4.2 16.8 1.0
OE2 A:GLU355 4.2 31.9 1.0
C9A A:FAD600 4.3 11.5 1.0
C8 A:FAD600 4.3 14.4 1.0
C9 A:FAD600 4.5 12.7 1.0
ND2 A:ASN383 4.7 25.8 1.0
C9 A:FTK601 4.8 24.9 0.7
OE1 A:GLU355 4.8 30.9 1.0
O9 A:FTK601 4.8 34.9 0.7
O A:HOH1005 4.8 44.5 1.0
CD A:GLU355 4.9 23.4 1.0
CE1 A:PHE419 4.9 15.1 1.0
N10 A:FAD600 5.0 10.5 1.0
SD A:MET80 5.0 27.7 1.0

Fluorine binding site 2 out of 6 in 3w8x

Go back to Fluorine Binding Sites List in 3w8x
Fluorine binding site 2 out of 6 in the The Complex Structure of Encm with Trifluorotriketide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Complex Structure of Encm with Trifluorotriketide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:39.5
occ:0.72
 F2 A:FTK601 0.0 39.5 0.7
C12 A:FTK601 1.3 31.2 0.7
F3 A:FTK601 1.8 34.0 0.7
F1 A:FTK601 1.9 33.9 0.7
C11 A:FTK601 2.4 21.6 0.7
C10 A:FTK601 2.9 23.2 0.7
OE1 A:GLU355 3.0 30.9 1.0
OE2 A:GLU355 3.1 31.9 1.0
ND2 A:ASN383 3.3 25.8 1.0
CD A:GLU355 3.4 23.4 1.0
O11 A:FTK601 3.6 28.1 0.7
O9 A:FTK601 3.6 34.9 0.7
C9 A:FTK601 3.7 24.9 0.7
CE1 A:PHE419 4.2 15.1 1.0
CZ A:PHE419 4.2 14.3 1.0
CE A:MET80 4.3 29.9 1.0
CG A:ASN383 4.5 23.3 1.0
N5 A:FAD600 4.8 11.6 1.0
C5X A:FAD600 4.8 13.1 1.0
CD1 A:PHE419 4.8 14.1 1.0
CE2 A:PHE419 4.9 15.0 1.0
C6 A:FAD600 4.9 13.6 1.0
CG A:GLU355 4.9 20.4 1.0
CB A:ALA385 5.0 11.9 1.0

Fluorine binding site 3 out of 6 in 3w8x

Go back to Fluorine Binding Sites List in 3w8x
Fluorine binding site 3 out of 6 in the The Complex Structure of Encm with Trifluorotriketide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of The Complex Structure of Encm with Trifluorotriketide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:34.0
occ:0.72
 F3 A:FTK601 0.0 34.0 0.7
C12 A:FTK601 1.3 31.2 0.7
F2 A:FTK601 1.8 39.5 0.7
F1 A:FTK601 1.9 33.9 0.7
OE2 A:GLU355 2.4 31.9 1.0
C11 A:FTK601 2.5 21.6 0.7
O11 A:FTK601 3.3 28.1 0.7
CD A:GLU355 3.3 23.4 1.0
OE1 A:GLU355 3.5 30.9 1.0
C10 A:FTK601 3.5 23.2 0.7
O9 A:FTK601 3.6 34.9 0.7
C9 A:FTK601 4.0 24.9 0.7
OE1 A:GLN353 4.3 32.7 1.0
ND2 A:ASN383 4.5 25.8 1.0
CG A:GLU355 4.7 20.4 1.0
O A:HOH1005 4.7 44.5 1.0
CB A:ALA385 4.7 11.9 1.0
CE2 A:PHE313 4.8 29.8 1.0
C6 A:FAD600 4.8 13.6 1.0

Fluorine binding site 4 out of 6 in 3w8x

Go back to Fluorine Binding Sites List in 3w8x
Fluorine binding site 4 out of 6 in the The Complex Structure of Encm with Trifluorotriketide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of The Complex Structure of Encm with Trifluorotriketide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:35.6
occ:0.71
 F1 B:FTK601 0.0 35.6 0.7
C12 B:FTK601 1.3 28.6 0.7
F3 B:FTK601 1.9 35.5 0.7
F2 B:FTK601 1.9 36.7 0.7
C11 B:FTK601 2.5 24.2 0.7
C10 B:FTK601 3.2 23.6 0.7
CE B:MET80 3.3 28.3 1.0
C5X B:FAD600 3.5 13.3 1.0
O11 B:FTK601 3.5 34.1 0.7
C6 B:FAD600 3.6 13.7 1.0
N5 B:FAD600 3.7 13.2 1.0
CE1 B:PHE419 3.8 16.6 1.0
C9A B:FAD600 3.9 12.0 1.0
C7 B:FAD600 4.1 16.3 1.0
C9 B:FTK601 4.2 26.2 0.7
ND2 B:ASN383 4.2 28.3 1.0
CZ B:PHE419 4.2 17.1 1.0
OE2 B:GLU355 4.3 29.7 1.0
C4X B:FAD600 4.3 11.9 1.0
N10 B:FAD600 4.4 11.4 1.0
OE1 B:GLU355 4.4 33.9 1.0
C9 B:FAD600 4.4 12.3 1.0
C8 B:FAD600 4.5 15.2 1.0
CD1 B:PHE419 4.5 17.2 1.0
C8 B:FTK601 4.7 24.5 0.7
CD B:GLU355 4.8 29.6 1.0
C10 B:FAD600 4.8 11.6 1.0
SD B:MET80 4.8 28.6 1.0
C7M B:FAD600 4.9 18.2 1.0

Fluorine binding site 5 out of 6 in 3w8x

Go back to Fluorine Binding Sites List in 3w8x
Fluorine binding site 5 out of 6 in the The Complex Structure of Encm with Trifluorotriketide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of The Complex Structure of Encm with Trifluorotriketide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:36.7
occ:0.71
 F2 B:FTK601 0.0 36.7 0.7
C12 B:FTK601 1.3 28.6 0.7
F3 B:FTK601 1.9 35.5 0.7
F1 B:FTK601 1.9 35.6 0.7
C11 B:FTK601 2.4 24.2 0.7
OE2 B:GLU355 2.4 29.7 1.0
OE1 B:GLU355 3.0 33.9 1.0
CD B:GLU355 3.1 29.6 1.0
C10 B:FTK601 3.2 23.6 0.7
ND2 B:ASN383 3.2 28.3 1.0
O11 B:FTK601 3.3 34.1 0.7
C9 B:FTK601 3.5 26.2 0.7
CZ B:PHE419 3.8 17.1 1.0
C8 B:FTK601 3.9 24.5 0.7
O9 B:FTK601 4.1 32.6 0.7
CE1 B:PHE419 4.1 16.6 1.0
CG B:ASN383 4.4 23.5 1.0
CE2 B:PHE419 4.4 17.1 1.0
CG B:GLU355 4.6 22.3 1.0
CB B:ASN383 4.7 18.7 1.0
CE B:MET80 4.8 28.3 1.0
CD1 B:PHE419 4.8 17.2 1.0
N5 B:FAD600 4.9 13.2 1.0

Fluorine binding site 6 out of 6 in 3w8x

Go back to Fluorine Binding Sites List in 3w8x
Fluorine binding site 6 out of 6 in the The Complex Structure of Encm with Trifluorotriketide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of The Complex Structure of Encm with Trifluorotriketide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:35.5
occ:0.71
 F3 B:FTK601 0.0 35.5 0.7
C12 B:FTK601 1.3 28.6 0.7
F1 B:FTK601 1.9 35.6 0.7
F2 B:FTK601 1.9 36.7 0.7
C11 B:FTK601 2.4 24.2 0.7
O11 B:FTK601 2.8 34.1 0.7
OE1 B:GLU355 2.8 33.9 1.0
OE2 B:GLU355 3.5 29.7 1.0
CD B:GLU355 3.6 29.6 1.0
C10 B:FTK601 3.8 23.6 0.7
ND2 B:ASN383 3.8 28.3 1.0
CE B:MET80 4.2 28.3 1.0
CB B:ALA385 4.3 14.3 1.0
O B:HOH752 4.4 44.8 1.0
C9 B:FTK601 4.6 26.2 0.7
C6 B:FAD600 4.7 13.7 1.0

Reference:

R.Teufel, A.Miyanaga, Q.Michaudel, F.Stull, G.Louie, J.P.Noel, P.S.Baran, B.Palfey, B.S.Moore. Flavin-Mediated Dual Oxidation Controls An Enzymatic Favorskii-Type Rearrangement. Nature V. 503 552 2013.
ISSN: ISSN 0028-0836
PubMed: 24162851
DOI: 10.1038/NATURE12643
Page generated: Wed Jul 31 23:30:26 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy