Fluorine in PDB 8ogw: Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D02

Enzymatic activity of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D02

All present enzymatic activity of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D02:
2.7.7.85;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D02, PDB code: 8ogw was solved by T.B.Garbers, P.Neumann, J.Wollenhaupt, M.S.Weiss, R.Ficner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.69 / 1.17
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 118.87, 39.24, 68.17, 90, 95.31, 90
R / Rfree (%) 17.9 / 19.4

Other elements in 8ogw:

The structure of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D02 also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D02 (pdb code 8ogw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D02, PDB code: 8ogw:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 8ogw

Go back to Fluorine Binding Sites List in 8ogw
Fluorine binding site 1 out of 4 in the Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D02


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D02 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:35.8
occ:0.42
 F1 A:SY4301 0.0 35.8 0.4
C6 A:SY4301 1.4 24.3 0.4
O A:HOH515 2.0 52.1 0.6
C5 A:SY4301 2.4 24.2 0.4
C7 A:SY4301 2.4 28.0 0.4
N1 A:SY4301 2.8 27.2 0.4
HE1 A:TYR187 3.1 41.7 0.6
HD11 A:LEU190 3.4 34.8 1.0
C4 A:SY4301 3.6 23.1 0.4
C8 A:SY4301 3.6 27.3 0.4
HG A:LEU190 3.7 32.0 1.0
O A:HOH481 3.9 30.0 1.0
CE1 A:TYR187 4.0 34.6 0.6
C3 A:SY4301 4.1 25.2 0.4
CD1 A:LEU190 4.2 28.8 1.0
HD1 A:TYR187 4.2 39.3 0.6
HD12 A:LEU190 4.3 34.8 1.0
CG A:LEU190 4.4 26.5 1.0
HD2 A:TYR187 4.6 41.0 0.4
CD1 A:TYR187 4.6 32.6 0.6
HD21 A:LEU190 4.6 33.4 1.0
F A:SY4301 4.8 36.0 0.4

Fluorine binding site 2 out of 4 in 8ogw

Go back to Fluorine Binding Sites List in 8ogw
Fluorine binding site 2 out of 4 in the Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D02


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D02 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:36.0
occ:0.42
 F A:SY4301 0.0 36.0 0.4
C8 A:SY4301 1.4 27.3 0.4
C3 A:SY4301 2.4 25.2 0.4
C7 A:SY4301 2.4 28.0 0.4
N A:SY4301 2.8 24.8 0.4
O A:HOH515 3.2 52.1 0.6
HB A:THR202 3.5 39.2 1.0
C6 A:SY4301 3.6 24.3 0.4
C4 A:SY4301 3.7 23.1 0.4
HG21 A:THR202 4.0 40.5 1.0
HD21 A:LEU190 4.0 33.4 1.0
S A:SY4301 4.1 27.8 0.4
C5 A:SY4301 4.1 24.2 0.4
OG1 A:THR202 4.2 36.2 1.0
CB A:THR202 4.2 32.5 1.0
HD11 A:LEU190 4.2 34.8 1.0
C2 A:SY4301 4.3 25.5 0.4
C1 A:SY4301 4.6 28.4 0.4
CG2 A:THR202 4.6 33.6 1.0
O A:HOH494 4.6 52.1 0.6
HG1 A:THR202 4.7 43.6 1.0
F1 A:SY4301 4.8 35.8 0.4
O A:SY4301 4.8 22.5 0.4
CD2 A:LEU190 4.9 27.7 1.0
HG22 A:THR202 5.0 40.5 1.0

Fluorine binding site 3 out of 4 in 8ogw

Go back to Fluorine Binding Sites List in 8ogw
Fluorine binding site 3 out of 4 in the Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D02


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D02 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:36.7
occ:0.46
 F1 B:SY4301 0.0 36.7 0.5
C6 B:SY4301 1.4 25.5 0.5
C5 B:SY4301 2.4 23.9 0.5
C7 B:SY4301 2.4 29.8 0.5
N1 B:SY4301 2.8 26.8 0.5
HD11 B:LEU190 3.1 33.3 1.0
HE2 B:TYR187 3.2 39.8 0.5
C8 B:SY4301 3.6 24.1 0.5
C4 B:SY4301 3.6 20.4 0.5
HG B:LEU190 3.7 30.4 1.0
CD1 B:LEU190 4.0 27.6 1.0
HE2 B:TYR187 4.0 42.9 0.5
CE2 B:TYR187 4.1 33.0 0.5
C3 B:SY4301 4.1 23.0 0.5
O B:HOH485 4.2 33.3 1.0
HD2 B:TYR187 4.3 40.9 0.5
HD2 B:TYR187 4.3 38.7 0.5
CG B:LEU190 4.4 25.2 1.0
HD12 B:LEU190 4.5 33.3 1.0
HH B:TYR187 4.6 40.9 0.5
HD13 B:LEU190 4.6 33.3 1.0
CD2 B:TYR187 4.7 32.1 0.5
HD21 B:LEU190 4.7 32.2 1.0
F B:SY4301 4.8 41.2 0.5
CE2 B:TYR187 4.8 35.6 0.5
CD2 B:TYR187 4.9 33.9 0.5

Fluorine binding site 4 out of 4 in 8ogw

Go back to Fluorine Binding Sites List in 8ogw
Fluorine binding site 4 out of 4 in the Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D02


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D02 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:41.2
occ:0.46
 F B:SY4301 0.0 41.2 0.5
C8 B:SY4301 1.4 24.1 0.5
C7 B:SY4301 2.4 29.8 0.5
C3 B:SY4301 2.4 23.0 0.5
N B:SY4301 2.8 24.9 0.5
HB B:THR202 3.5 33.5 1.0
C6 B:SY4301 3.6 25.5 0.5
C4 B:SY4301 3.7 20.4 0.5
HG1 B:THR202 3.8 38.5 1.0
HG21 B:THR202 3.9 33.3 1.0
CB B:THR202 4.1 27.8 1.0
C5 B:SY4301 4.1 23.9 0.5
C1 B:SY4301 4.2 29.3 0.5
S B:SY4301 4.2 27.4 0.5
OG1 B:THR202 4.3 31.9 1.0
HD21 B:LEU190 4.3 32.2 1.0
HG22 B:THR202 4.3 33.3 1.0
CG2 B:THR202 4.3 27.6 1.0
HE2 B:TYR187 4.4 42.9 0.5
C2 B:SY4301 4.4 26.6 0.5
HD11 B:LEU190 4.6 33.3 1.0
F1 B:SY4301 4.8 36.7 0.5
HD13 B:LEU190 4.8 33.3 1.0
O1 B:SY4301 5.0 25.1 0.5
CE2 B:TYR187 5.0 35.6 0.5

Reference:

T.B.Garbers, P.Neumann, J.Wollenhaupt, M.S.Weiss, R.Ficner. Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X-Entry D02 To Be Published.
Page generated: Fri Aug 2 21:08:44 2024

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