Fluorine in PDB 8ohe: Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry F03

Enzymatic activity of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry F03

All present enzymatic activity of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry F03:
2.7.7.85;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry F03, PDB code: 8ohe 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) 42.70 / 1.15
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 118.88, 39.23, 68.2, 90, 95.31, 90
R / Rfree (%) 17.6 / 19.7

Other elements in 8ohe:

The structure of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry F03 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 F03 (pdb code 8ohe). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry F03, PDB code: 8ohe:

Fluorine binding site 1 out of 1 in 8ohe

Go back to Fluorine Binding Sites List in 8ohe
Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry F03


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 F03 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:25.0
occ:0.16
 F A:RAY301 0.0 25.0 0.2
C9 A:RAY301 1.4 19.4 0.2
O A:HOH522 1.6 43.8 0.8
C8 A:RAY301 2.4 18.5 0.2
C10 A:RAY301 2.4 19.7 0.2
O A:LEU240 2.4 22.2 1.0
HB2 A:LEU240 2.6 22.5 1.0
HB A:VAL228 2.7 18.9 1.0
O A:THR241 2.8 24.1 1.0
C A:LEU240 2.8 21.4 1.0
C A:THR241 3.0 23.5 1.0
HB3 A:LEU240 3.2 22.5 1.0
CB A:LEU240 3.2 18.7 1.0
HG11 A:VAL228 3.3 19.4 1.0
HB2 A:LEU245 3.4 21.6 1.0
N A:THR241 3.4 22.8 1.0
CB A:VAL228 3.4 15.8 1.0
HG12 A:VAL228 3.5 19.4 1.0
CA A:THR241 3.5 23.9 1.0
HA A:THR241 3.5 28.7 1.0
HA A:GLU242 3.6 31.4 1.0
N A:GLU242 3.6 25.9 1.0
CA A:LEU240 3.6 19.9 1.0
CG1 A:VAL228 3.6 16.1 1.0
C7 A:RAY301 3.6 18.2 0.2
C5 A:RAY301 3.7 19.7 0.2
HG21 A:VAL228 3.7 18.8 1.0
O A:HOH418 3.9 46.4 0.8
CG2 A:VAL228 4.0 15.7 1.0
HB3 A:LEU245 4.0 21.6 1.0
H A:GLU242 4.0 31.0 1.0
H A:LEU245 4.1 23.4 1.0
CA A:GLU242 4.1 26.2 1.0
C6 A:RAY301 4.1 19.8 0.2
H A:THR241 4.1 27.3 1.0
CB A:LEU245 4.2 18.0 1.0
H A:LEU240 4.2 23.9 1.0
HG23 A:VAL228 4.2 18.8 1.0
HD22 A:LEU245 4.2 23.0 1.0
N A:LEU240 4.3 19.9 1.0
O A:HOH462 4.3 20.8 1.0
HA A:LEU240 4.4 23.9 1.0
HD12 A:LEU240 4.5 22.6 1.0
HG13 A:VAL228 4.6 19.4 1.0
CG A:LEU240 4.6 17.4 1.0
HB3 A:ALA244 4.7 26.8 1.0
CA A:VAL228 4.7 14.8 1.0
H A:VAL228 4.7 17.7 1.0
O A:VAL228 4.7 15.8 1.0
N A:LEU245 4.8 19.5 1.0
HD13 A:LEU240 4.8 22.6 1.0
HD23 A:LEU245 4.8 23.0 1.0
N A:RAY301 4.8 17.9 0.2
CD1 A:LEU240 4.9 18.8 1.0
CD2 A:LEU245 4.9 19.2 1.0
HG22 A:VAL228 4.9 18.8 1.0
C A:VAL228 4.9 15.0 1.0
HG A:LEU240 4.9 20.9 1.0
C A:GLU242 5.0 25.1 1.0

Reference:

T.B.Garbers, P.Neumann, J.Wollenhaupt, M.S.Weiss, R.Ficner. Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X-Entry F03 To Be Published.
Page generated: Fri Aug 2 21:08:44 2024

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