Atomistry » Fluorine » PDB 2gtn-2ihj » 2heg
Atomistry »
  Fluorine »
    PDB 2gtn-2ihj »
      2heg »

Fluorine in PDB 2heg: Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase

Enzymatic activity of Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase

All present enzymatic activity of Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase:
3.1.3.2;

Protein crystallography data

The structure of Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase, PDB code: 2heg was solved by R.Leone, V.Calderone, E.Cappelletti, M.Benvenuti, S.Mangani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.23 / 1.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 92.428, 66.631, 90.103, 90.00, 119.85, 90.00
R / Rfree (%) 16.4 / 18.9

Other elements in 2heg:

The structure of Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase (pdb code 2heg). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase, PDB code: 2heg:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 2heg

Go back to Fluorine Binding Sites List in 2heg
Fluorine binding site 1 out of 6 in the Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F44

b:5.9
occ:1.00
 F1 A:BFD44 0.0 5.9 1.0
BE A:BFD44 1.7 8.2 1.0
MG A:MG300 1.9 5.4 1.0
F2 A:BFD44 2.7 6.1 1.0
OD1 A:BFD44 2.7 4.9 1.0
F3 A:BFD44 2.7 6.2 1.0
OD2 A:BFD44 2.8 4.6 1.0
O A:HOH302 2.8 6.7 1.0
O A:HOH322 2.8 7.2 1.0
O A:ASP46 2.9 4.9 1.0
CG A:BFD44 3.1 5.3 1.0
CB A:ASP46 3.2 5.8 1.0
N A:ASP46 3.3 5.3 1.0
O A:HOH577 3.3 21.1 1.0
O A:HOH350 3.4 12.5 1.0
CA A:ASP46 3.4 5.1 1.0
C A:ASP46 3.5 5.0 1.0
OD1 A:ASP167 4.0 5.4 1.0
OD2 A:ASP46 4.0 7.6 1.0
CG A:ASP46 4.1 6.0 1.0
O A:HOH344 4.1 11.4 1.0
O A:HOH741 4.3 40.9 1.0
C A:ILE45 4.3 5.3 1.0
N A:ILE45 4.4 4.8 1.0
O A:HOH312 4.5 7.4 1.0
CB A:BFD44 4.6 5.3 1.0
NZ A:LYS152 4.6 7.3 1.0
OG1 A:THR112 4.9 6.2 1.0
N A:ASP47 4.9 4.8 1.0
CG A:ASP167 4.9 6.3 1.0
CA A:ILE45 4.9 5.1 1.0

Fluorine binding site 2 out of 6 in 2heg

Go back to Fluorine Binding Sites List in 2heg
Fluorine binding site 2 out of 6 in the Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F44

b:6.1
occ:1.00
 F2 A:BFD44 0.0 6.1 1.0
BE A:BFD44 1.7 8.2 1.0
OD1 A:BFD44 2.6 4.9 1.0
OG1 A:THR112 2.7 6.2 1.0
F3 A:BFD44 2.7 6.2 1.0
F1 A:BFD44 2.7 5.9 1.0
N A:ASP46 2.8 5.3 1.0
N A:ILE45 2.9 4.8 1.0
CB A:THR112 3.3 5.8 1.0
CA A:ILE45 3.3 5.1 1.0
CB A:ILE45 3.3 4.9 1.0
OD2 A:ASP46 3.3 7.6 1.0
CG A:BFD44 3.4 5.3 1.0
O A:HOH350 3.4 12.5 1.0
C A:ILE45 3.5 5.3 1.0
CA A:THR112 3.6 6.3 1.0
CG A:ASP46 3.7 6.0 1.0
CB A:ASP46 3.7 5.8 1.0
OD2 A:BFD44 3.8 4.6 1.0
CA A:ASP46 3.8 5.1 1.0
C A:BFD44 4.0 5.3 1.0
N A:GLY113 4.1 6.4 1.0
CG1 A:ILE45 4.2 5.9 1.0
MG A:MG300 4.2 5.4 1.0
CA A:BFD44 4.4 5.2 1.0
CG2 A:ILE45 4.4 5.2 1.0
NZ A:LYS152 4.4 7.3 1.0
C A:THR112 4.4 6.5 1.0
CB A:BFD44 4.5 5.3 1.0
OD1 A:ASP46 4.5 6.4 1.0
O A:VAL111 4.6 6.6 1.0
O A:ASP46 4.6 4.9 1.0
C A:ASP46 4.7 5.0 1.0
N A:THR112 4.7 6.1 1.0
O A:ILE45 4.7 5.7 1.0
CG2 A:THR112 4.7 7.2 1.0
CD1 A:ILE45 4.9 5.7 1.0
O A:HOH302 5.0 6.7 1.0

Fluorine binding site 3 out of 6 in 2heg

Go back to Fluorine Binding Sites List in 2heg
Fluorine binding site 3 out of 6 in the Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F44

b:6.2
occ:1.00
 F3 A:BFD44 0.0 6.2 1.0
BE A:BFD44 1.7 8.2 1.0
OD1 A:BFD44 2.6 4.9 1.0
N A:GLY113 2.6 6.4 1.0
F2 A:BFD44 2.7 6.1 1.0
F1 A:BFD44 2.7 5.9 1.0
NZ A:LYS152 2.8 7.3 1.0
O A:HOH350 3.0 12.5 1.0
O A:HOH344 3.1 11.4 1.0
CA A:GLY113 3.5 6.8 1.0
OG1 A:THR112 3.5 6.2 1.0
C A:THR112 3.6 6.5 1.0
CA A:THR112 3.6 6.3 1.0
CE A:LYS152 3.6 7.5 1.0
CG A:BFD44 3.8 5.3 1.0
O A:HOH302 3.8 6.7 1.0
O A:HOH741 3.8 40.9 1.0
O A:HOH470 3.9 24.0 1.0
CB A:THR112 4.1 5.8 1.0
MG A:MG300 4.2 5.4 1.0
O A:HOH577 4.3 21.1 1.0
OD2 A:BFD44 4.4 4.6 1.0
C A:GLY113 4.4 7.1 1.0
N A:ARG114 4.5 7.1 1.0
O A:VAL111 4.5 6.6 1.0
OD2 A:ASP46 4.7 7.6 1.0
O A:THR112 4.7 6.9 1.0
N A:THR112 4.8 6.1 1.0
OD1 A:ASP171 4.9 7.7 1.0
CB A:BFD44 4.9 5.3 1.0
N A:ILE45 5.0 4.8 1.0

Fluorine binding site 4 out of 6 in 2heg

Go back to Fluorine Binding Sites List in 2heg
Fluorine binding site 4 out of 6 in the Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F44

b:9.0
occ:1.00
 F1 B:BFD44 0.0 9.0 1.0
BE B:BFD44 1.7 9.2 1.0
OD1 B:BFD44 2.6 4.6 1.0
F2 B:BFD44 2.8 7.4 1.0
N B:GLY113 2.8 8.5 1.0
NZ B:LYS152 2.8 10.8 1.0
F3 B:BFD44 2.8 7.3 1.0
O B:HOH390 3.1 19.2 1.0
O B:HOH345 3.5 11.9 1.0
OG1 B:THR112 3.6 8.2 1.0
CA B:GLY113 3.6 8.8 1.0
CE B:LYS152 3.6 10.8 1.0
C B:THR112 3.7 8.6 1.0
CA B:THR112 3.7 8.5 1.0
CG B:BFD44 3.8 7.2 1.0
O B:HOH306 3.8 7.3 1.0
O B:HOH383 3.9 15.3 1.0
O B:HOH525 4.1 32.3 1.0
CB B:THR112 4.2 7.6 1.0
MG B:MG300 4.2 6.6 1.0
OD2 B:BFD44 4.4 6.4 1.0
O B:HOH498 4.4 26.0 1.0
C B:GLY113 4.5 9.0 1.0
N B:ARG114 4.5 8.8 1.0
O B:VAL111 4.6 9.0 1.0
O B:THR112 4.8 8.8 1.0
OD1 B:ASP171 4.9 8.5 1.0
N B:THR112 4.9 8.4 1.0
OD2 B:ASP46 4.9 9.4 1.0
CB B:BFD44 4.9 6.7 1.0

Fluorine binding site 5 out of 6 in 2heg

Go back to Fluorine Binding Sites List in 2heg
Fluorine binding site 5 out of 6 in the Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F44

b:7.4
occ:1.00
 F2 B:BFD44 0.0 7.4 1.0
BE B:BFD44 1.7 9.2 1.0
MG B:MG300 1.8 6.6 1.0
OD1 B:BFD44 2.7 4.6 1.0
OD2 B:BFD44 2.7 6.4 1.0
F3 B:BFD44 2.7 7.3 1.0
F1 B:BFD44 2.8 9.0 1.0
O B:HOH306 2.8 7.3 1.0
O B:HOH340 2.8 8.6 1.0
O B:ASP46 3.0 6.4 1.0
CG B:BFD44 3.1 7.2 1.0
O B:HOH498 3.3 26.0 1.0
CB B:ASP46 3.3 7.0 1.0
N B:ASP46 3.3 6.3 1.0
O B:HOH390 3.4 19.2 1.0
CA B:ASP46 3.5 6.5 1.0
C B:ASP46 3.6 6.5 1.0
OD1 B:ASP167 3.9 6.4 1.0
O B:HOH345 4.2 11.9 1.0
OD2 B:ASP46 4.2 9.4 1.0
CG B:ASP46 4.2 7.5 1.0
C B:ILE45 4.4 6.5 1.0
N B:ILE45 4.5 6.7 1.0
CB B:BFD44 4.6 6.7 1.0
O B:HOH369 4.6 9.6 1.0
NZ B:LYS152 4.6 10.8 1.0
OG1 B:THR112 4.9 8.2 1.0
CG B:ASP167 4.9 6.8 1.0
N B:ASP47 4.9 5.9 1.0
CA B:ILE45 4.9 6.7 1.0

Fluorine binding site 6 out of 6 in 2heg

Go back to Fluorine Binding Sites List in 2heg
Fluorine binding site 6 out of 6 in the Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Phospho-Aspartyl Intermediate Analogue of Apha Class B Acid Phosphatase/Phosphotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F44

b:7.3
occ:1.00
 F3 B:BFD44 0.0 7.3 1.0
BE B:BFD44 1.7 9.2 1.0
OG1 B:THR112 2.6 8.2 1.0
OD1 B:BFD44 2.6 4.6 1.0
F2 B:BFD44 2.7 7.4 1.0
F1 B:BFD44 2.8 9.0 1.0
N B:ASP46 2.8 6.3 1.0
N B:ILE45 2.9 6.7 1.0
CB B:THR112 3.2 7.6 1.0
CB B:ILE45 3.3 6.5 1.0
CA B:ILE45 3.3 6.7 1.0
CG B:BFD44 3.4 7.2 1.0
OD2 B:ASP46 3.4 9.4 1.0
O B:HOH390 3.5 19.2 1.0
C B:ILE45 3.5 6.5 1.0
CA B:THR112 3.6 8.5 1.0
CG B:ASP46 3.7 7.5 1.0
CB B:ASP46 3.8 7.0 1.0
OD2 B:BFD44 3.8 6.4 1.0
CA B:ASP46 3.8 6.5 1.0
C B:BFD44 4.1 6.9 1.0
CG1 B:ILE45 4.1 7.4 1.0
N B:GLY113 4.2 8.5 1.0
MG B:MG300 4.3 6.6 1.0
CG2 B:ILE45 4.4 7.0 1.0
CA B:BFD44 4.5 6.4 1.0
C B:THR112 4.5 8.6 1.0
CB B:BFD44 4.5 6.7 1.0
O B:VAL111 4.5 9.0 1.0
OD1 B:ASP46 4.6 6.8 1.0
O B:ASP46 4.6 6.4 1.0
CG2 B:THR112 4.7 8.5 1.0
N B:THR112 4.7 8.4 1.0
O B:ILE45 4.7 6.9 1.0
C B:ASP46 4.8 6.5 1.0
CD1 B:ILE45 4.9 7.5 1.0
NZ B:LYS152 4.9 10.8 1.0

Reference:

R.Leone, V.Calderone, E.Cappelletti, M.Benvenuti, S.Mangani. N/A N/A.
Page generated: Wed Jul 31 14:42:27 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy