Atomistry » Fluorine » PDB 5ddf-5dy7 » 5dxi
Atomistry »
  Fluorine »
    PDB 5ddf-5dy7 »
      5dxi »

Fluorine in PDB 5dxi: Structure of C. Albicans Trehalose-6-Phosphate Phosphatase C-Terminal Domain

Enzymatic activity of Structure of C. Albicans Trehalose-6-Phosphate Phosphatase C-Terminal Domain

All present enzymatic activity of Structure of C. Albicans Trehalose-6-Phosphate Phosphatase C-Terminal Domain:
2.4.1.15;

Protein crystallography data

The structure of Structure of C. Albicans Trehalose-6-Phosphate Phosphatase C-Terminal Domain, PDB code: 5dxi was solved by Y.Miao, R.G.Brennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.43 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.757, 87.200, 139.271, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 24.2

Other elements in 5dxi:

The structure of Structure of C. Albicans Trehalose-6-Phosphate Phosphatase C-Terminal Domain also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of C. Albicans Trehalose-6-Phosphate Phosphatase C-Terminal Domain (pdb code 5dxi). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structure of C. Albicans Trehalose-6-Phosphate Phosphatase C-Terminal Domain, PDB code: 5dxi:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 5dxi

Go back to Fluorine Binding Sites List in 5dxi
Fluorine binding site 1 out of 6 in the Structure of C. Albicans Trehalose-6-Phosphate Phosphatase C-Terminal Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of C. Albicans Trehalose-6-Phosphate Phosphatase C-Terminal Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:28.8
occ:1.00
 F1 A:BEF402 0.0 28.8 1.0
BE A:BEF402 1.8 26.5 1.0
F2 A:BEF402 2.5 26.9 1.0
F3 A:BEF402 2.6 26.8 1.0
NZ A:LYS188 2.7 21.9 1.0
OD1 A:ASP25 2.8 27.5 1.0
N A:GLY66 2.9 24.5 1.0
C6P A:TRE403 2.9 30.7 1.0
O6P A:TRE403 2.9 28.9 1.0
O A:HOH531 3.2 28.2 1.0
CA A:SER65 3.6 24.0 1.0
C A:SER65 3.6 24.9 1.0
CE A:LYS188 3.6 23.2 1.0
MG A:MG401 3.8 25.7 1.0
OG A:SER65 3.8 25.0 1.0
CG A:ASP25 3.8 25.9 1.0
CA A:GLY66 3.9 24.6 1.0
CG2 A:THR233 4.1 25.4 1.0
O A:HOH660 4.2 31.3 1.0
OD2 A:ASP25 4.2 25.7 1.0
CB A:SER65 4.2 25.7 1.0
O A:ILE64 4.4 25.1 1.0
C5P A:TRE403 4.4 29.1 1.0
CE1 A:HIS87 4.5 28.9 1.0
OD2 A:ASP234 4.5 25.7 1.0
O A:SER65 4.7 28.5 1.0
N A:SER65 4.7 23.7 1.0
ND1 A:HIS87 4.8 27.1 1.0
O A:HOH540 4.8 27.4 1.0
N A:TYR26 4.9 26.9 1.0
N A:ASP27 4.9 25.1 1.0
C A:GLY66 5.0 28.2 1.0

Fluorine binding site 2 out of 6 in 5dxi

Go back to Fluorine Binding Sites List in 5dxi
Fluorine binding site 2 out of 6 in the Structure of C. Albicans Trehalose-6-Phosphate Phosphatase C-Terminal Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of C. Albicans Trehalose-6-Phosphate Phosphatase C-Terminal Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:26.9
occ:1.00
 F2 A:BEF402 0.0 26.9 1.0
BE A:BEF402 1.8 26.5 1.0
MG A:MG401 2.0 25.7 1.0
F3 A:BEF402 2.5 26.8 1.0
F1 A:BEF402 2.5 28.8 1.0
O A:ASP27 2.9 26.2 1.0
O A:HOH531 2.9 28.2 1.0
OD1 A:ASP25 3.0 27.5 1.0
O A:HOH540 3.0 27.4 1.0
OD2 A:ASP25 3.0 25.7 1.0
CB A:ASP27 3.0 26.1 1.0
N A:ASP27 3.0 25.1 1.0
C6P A:TRE403 3.2 30.7 1.0
O6P A:TRE403 3.2 28.9 1.0
CA A:ASP27 3.3 26.1 1.0
CG A:ASP25 3.3 25.9 1.0
C A:ASP27 3.4 29.4 1.0
OD2 A:ASP27 3.9 30.3 1.0
OD2 A:ASP230 4.0 26.1 1.0
CG A:ASP27 4.0 29.9 1.0
C A:TYR26 4.0 25.9 1.0
N A:TYR26 4.2 26.9 1.0
O5P A:TRE403 4.3 30.9 1.0
C5P A:TRE403 4.3 29.1 1.0
CA A:TYR26 4.6 27.4 1.0
NZ A:LYS188 4.6 21.9 1.0
OG A:SER65 4.6 25.0 1.0
O A:HOH551 4.7 30.4 1.0
O A:HOH660 4.7 31.3 1.0
N A:GLY28 4.7 28.1 1.0
CB A:ASP25 4.8 21.4 1.0
O A:TYR26 4.8 26.8 1.0
N A:GLY66 5.0 24.5 1.0
CG A:ASP230 5.0 29.1 1.0

Fluorine binding site 3 out of 6 in 5dxi

Go back to Fluorine Binding Sites List in 5dxi
Fluorine binding site 3 out of 6 in the Structure of C. Albicans Trehalose-6-Phosphate Phosphatase C-Terminal Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of C. Albicans Trehalose-6-Phosphate Phosphatase C-Terminal Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:26.8
occ:1.00
 F3 A:BEF402 0.0 26.8 1.0
BE A:BEF402 1.8 26.5 1.0
F2 A:BEF402 2.5 26.9 1.0
OG A:SER65 2.5 25.0 1.0
F1 A:BEF402 2.6 28.8 1.0
O6P A:TRE403 2.9 28.9 1.0
N A:ASP27 3.0 25.1 1.0
OD1 A:ASP25 3.0 27.5 1.0
N A:TYR26 3.0 26.9 1.0
CB A:SER65 3.1 25.7 1.0
CB A:TYR26 3.3 25.8 1.0
CA A:SER65 3.4 24.0 1.0
CA A:TYR26 3.4 27.4 1.0
OD2 A:ASP27 3.6 30.3 1.0
C A:TYR26 3.6 25.9 1.0
CG A:ASP25 3.8 25.9 1.0
C6P A:TRE403 3.8 30.7 1.0
N A:GLY66 3.8 24.5 1.0
CB A:ASP27 4.0 26.1 1.0
CA A:ASP27 4.0 26.1 1.0
OD2 A:ASP25 4.1 25.7 1.0
C A:ASP25 4.1 26.2 1.0
C A:SER65 4.2 24.9 1.0
MG A:MG401 4.2 25.7 1.0
CG A:ASP27 4.2 29.9 1.0
NZ A:LYS188 4.3 21.9 1.0
O A:ILE64 4.3 25.1 1.0
CG A:TYR26 4.5 26.8 1.0
CA A:ASP25 4.5 22.7 1.0
N A:SER65 4.6 23.7 1.0
O A:ASP27 4.6 26.2 1.0
CD2 A:TYR26 4.7 24.3 1.0
CB A:ASP25 4.8 21.4 1.0
O A:TYR26 4.8 26.8 1.0
C A:ILE64 4.8 25.3 1.0
CG A:ARG67 4.8 29.4 1.0
O A:HOH531 4.8 28.2 1.0
C A:ASP27 4.8 29.4 1.0
N A:ARG67 4.9 26.9 1.0

Fluorine binding site 4 out of 6 in 5dxi

Go back to Fluorine Binding Sites List in 5dxi
Fluorine binding site 4 out of 6 in the Structure of C. Albicans Trehalose-6-Phosphate Phosphatase C-Terminal Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of C. Albicans Trehalose-6-Phosphate Phosphatase C-Terminal Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F402

b:26.2
occ:1.00
 F1 B:BEF402 0.0 26.2 1.0
MG B:MG401 1.7 27.1 1.0
BE B:BEF402 1.8 24.4 1.0
F2 B:BEF402 2.5 23.1 1.0
F3 B:BEF402 2.6 26.4 1.0
O B:HOH520 2.6 22.7 1.0
O B:ASP27 2.8 25.1 1.0
OD2 B:ASP25 2.8 25.7 1.0
O B:HOH566 2.9 27.3 1.0
OD1 B:ASP25 2.9 23.2 1.0
N B:ASP27 3.1 25.6 1.0
CG B:ASP25 3.2 23.1 1.0
CB B:ASP27 3.2 26.1 1.0
CA B:ASP27 3.4 26.3 1.0
C6P B:TRE403 3.4 29.0 1.0
C B:ASP27 3.4 25.6 1.0
O6P B:TRE403 3.5 25.4 1.0
OD2 B:ASP230 3.8 26.6 1.0
C B:TYR26 4.0 27.9 1.0
OD2 B:ASP27 4.1 29.9 1.0
N B:TYR26 4.2 23.3 1.0
CG B:ASP27 4.2 29.0 1.0
NZ B:LYS188 4.6 25.2 1.0
C5P B:TRE403 4.6 25.2 1.0
O5P B:TRE403 4.6 28.4 1.0
CB B:ASP25 4.6 24.4 1.0
CA B:TYR26 4.6 25.0 1.0
O B:HOH549 4.7 27.8 1.0
N B:GLY28 4.7 26.3 1.0
OD1 B:ASP234 4.8 24.8 1.0
CG B:ASP230 4.8 25.0 1.0
O B:TYR26 4.9 25.4 1.0

Fluorine binding site 5 out of 6 in 5dxi

Go back to Fluorine Binding Sites List in 5dxi
Fluorine binding site 5 out of 6 in the Structure of C. Albicans Trehalose-6-Phosphate Phosphatase C-Terminal Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of C. Albicans Trehalose-6-Phosphate Phosphatase C-Terminal Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F402

b:23.1
occ:1.00
 F2 B:BEF402 0.0 23.1 1.0
BE B:BEF402 1.8 24.4 1.0
F3 B:BEF402 2.5 26.4 1.0
F1 B:BEF402 2.5 26.2 1.0
NZ B:LYS188 2.6 25.2 1.0
OD1 B:ASP25 2.7 23.2 1.0
N B:GLY66 2.9 25.1 1.0
O6P B:TRE403 3.1 25.4 1.0
C6P B:TRE403 3.1 29.0 1.0
O B:HOH520 3.1 22.7 1.0
CE B:LYS188 3.6 24.5 1.0
CA B:SER65 3.7 23.1 1.0
C B:SER65 3.7 27.3 1.0
CG B:ASP25 3.7 23.1 1.0
MG B:MG401 3.8 27.1 1.0
CA B:GLY66 3.9 25.5 1.0
OG B:SER65 3.9 24.1 1.0
CG2 B:THR233 4.1 22.1 1.0
OD2 B:ASP25 4.1 25.7 1.0
CB B:SER65 4.3 24.7 1.0
O B:ILE64 4.4 23.0 1.0
CE1 B:HIS87 4.5 27.6 1.0
OD2 B:ASP234 4.5 27.6 1.0
C5P B:TRE403 4.6 25.2 1.0
O B:HOH582 4.8 36.8 1.0
N B:TYR26 4.8 23.3 1.0
N B:SER65 4.8 22.3 1.0
ND1 B:HIS87 4.8 27.0 1.0
O B:SER65 4.8 24.9 1.0
OD1 B:ASP234 4.8 24.8 1.0
O B:HOH566 4.9 27.3 1.0
CB B:ASP25 4.9 24.4 1.0
N B:ASP27 4.9 25.6 1.0
CD B:LYS188 5.0 25.9 1.0
C B:GLY66 5.0 25.8 1.0

Fluorine binding site 6 out of 6 in 5dxi

Go back to Fluorine Binding Sites List in 5dxi
Fluorine binding site 6 out of 6 in the Structure of C. Albicans Trehalose-6-Phosphate Phosphatase C-Terminal Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of C. Albicans Trehalose-6-Phosphate Phosphatase C-Terminal Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F402

b:26.4
occ:1.00
 F3 B:BEF402 0.0 26.4 1.0
BE B:BEF402 1.8 24.4 1.0
F2 B:BEF402 2.5 23.1 1.0
F1 B:BEF402 2.6 26.2 1.0
OG B:SER65 2.7 24.1 1.0
OD1 B:ASP25 2.7 23.2 1.0
N B:TYR26 2.8 23.3 1.0
N B:ASP27 3.1 25.6 1.0
CB B:SER65 3.2 24.7 1.0
O6P B:TRE403 3.2 25.4 1.0
CB B:TYR26 3.3 22.8 1.0
CA B:TYR26 3.4 25.0 1.0
CA B:SER65 3.4 23.1 1.0
CG B:ASP25 3.6 23.1 1.0
C B:TYR26 3.7 27.9 1.0
OD2 B:ASP27 3.7 29.9 1.0
N B:GLY66 3.8 25.1 1.0
C B:ASP25 4.0 22.9 1.0
OD2 B:ASP25 4.0 25.7 1.0
NZ B:LYS188 4.0 25.2 1.0
C6P B:TRE403 4.1 29.0 1.0
C B:SER65 4.1 27.3 1.0
MG B:MG401 4.2 27.1 1.0
O B:ILE64 4.2 23.0 1.0
CA B:ASP27 4.2 26.3 1.0
CB B:ASP27 4.2 26.1 1.0
CA B:ASP25 4.3 21.1 1.0
CG B:ASP27 4.4 29.0 1.0
N B:SER65 4.5 22.3 1.0
CG B:TYR26 4.5 23.6 1.0
CB B:ASP25 4.5 24.4 1.0
O B:HOH520 4.7 22.7 1.0
O B:ASP27 4.7 25.1 1.0
C B:ILE64 4.7 24.0 1.0
CD2 B:TYR26 4.8 25.0 1.0
CG B:ARG67 4.8 29.1 1.0
O B:TYR26 4.9 25.4 1.0
C B:ASP27 5.0 25.6 1.0
CA B:GLY66 5.0 25.5 1.0

Reference:

Y.Miao, J.L.Tenor, D.L.Toffaletti, E.J.Washington, J.Liu, W.R.Shadrick, M.A.Schumacher, R.E.Lee, J.R.Perfect, R.G.Brennan. Structures of Trehalose-6-Phosphate Phosphatase From Pathogenic Fungi Reveal the Mechanisms of Substrate Recognition and Catalysis. Proc.Natl.Acad.Sci.Usa V. 113 7148 2016.
ISSN: ESSN 1091-6490
PubMed: 27307435
DOI: 10.1073/PNAS.1601774113
Page generated: Thu Aug 1 08:55:20 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy