Fluorine in PDB 8cfi: Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment D07

Enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment D07

All present enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment D07:
3.3.1.1;

Protein crystallography data

The structure of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment D07, PDB code: 8cfi was solved by P.H.Malecki, M.Gawel, M.Stepniewska, K.Brzezinski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.88 / 2.02
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 176.42, 104.11, 107.88, 90, 100.21, 90
R / Rfree (%) 19.2 / 23.4

Other elements in 8cfi:

The structure of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment D07 also contains other interesting chemical elements:

Potassium (K) 4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment D07 (pdb code 8cfi). 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 Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment D07, PDB code: 8cfi:

Fluorine binding site 1 out of 1 in 8cfi

Go back to Fluorine Binding Sites List in 8cfi
Fluorine binding site 1 out of 1 in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment D07


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with F2X-Entry Library Fragment D07 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F503

b:50.8
occ:0.70
 F A:SYJ503 0.0 50.8 0.7
C4 A:SYJ503 1.4 51.6 0.7
C3 A:SYJ503 2.4 48.0 0.7
C5 A:SYJ503 2.4 45.8 0.7
S A:SYJ503 3.0 58.4 0.7
O1 A:SYJ503 3.1 55.7 0.7
O A:HOH684 3.1 42.0 1.0
O A:HOH925 3.2 48.8 1.0
N A:SYJ503 3.3 46.5 0.7
OE1 A:GLU430 3.5 43.9 1.0
C2 A:SYJ503 3.6 48.7 0.7
C A:SYJ503 3.7 46.5 0.7
O2 A:SYJ503 3.7 44.7 0.7
CB A:GLU430 3.9 36.7 1.0
CD A:GLU430 3.9 42.7 1.0
CG A:GLU430 4.1 39.8 1.0
C1 A:SYJ503 4.1 47.3 0.7
C7 A:SYJ503 4.4 44.7 0.7
O A:SYJ503 4.4 51.3 0.7
C6 A:SYJ503 4.4 46.0 0.7
C10 A:SYJ503 4.6 41.7 0.7
OE2 A:GLU430 4.8 43.8 1.0
O A:GLU430 4.8 35.2 1.0
CA A:GLU430 4.9 35.3 1.0
OE2 A:GLU434 4.9 42.0 1.0
NZ A:LYS44 5.0 63.4 1.0

Reference:

P.H.Malecki, M.Gawel, M.Stepniewska, K.Brzezinski. Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From P. Aeruginosa in Complex with Fragment F2X-Entry D07 To Be Published.
Page generated: Fri Aug 2 17:10:36 2024

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