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Fluorine in PDB 2xpc: Second-Generation Sulfonamide Inhibitors of Murd: Activity Optimisation with Conformationally Rigid Analogues of D-Glutamic Acid

Enzymatic activity of Second-Generation Sulfonamide Inhibitors of Murd: Activity Optimisation with Conformationally Rigid Analogues of D-Glutamic Acid

All present enzymatic activity of Second-Generation Sulfonamide Inhibitors of Murd: Activity Optimisation with Conformationally Rigid Analogues of D-Glutamic Acid:
6.3.2.9;

Protein crystallography data

The structure of Second-Generation Sulfonamide Inhibitors of Murd: Activity Optimisation with Conformationally Rigid Analogues of D-Glutamic Acid, PDB code: 2xpc was solved by I.Sosic, H.Barreteau, M.Simcic, R.Sink, J.Cesar, S.Golic-Grdadolnik, C.Contreras-Martel, A.Dessen, A.Amoroso, B.Joris, D.Blanot, S.Gobec, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.43 / 1.49
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 65.659, 65.659, 135.642, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 19.9

Other elements in 2xpc:

The structure of Second-Generation Sulfonamide Inhibitors of Murd: Activity Optimisation with Conformationally Rigid Analogues of D-Glutamic Acid also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Second-Generation Sulfonamide Inhibitors of Murd: Activity Optimisation with Conformationally Rigid Analogues of D-Glutamic Acid (pdb code 2xpc). 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 Second-Generation Sulfonamide Inhibitors of Murd: Activity Optimisation with Conformationally Rigid Analogues of D-Glutamic Acid, PDB code: 2xpc:

Fluorine binding site 1 out of 1 in 2xpc

Go back to Fluorine Binding Sites List in 2xpc
Fluorine binding site 1 out of 1 in the Second-Generation Sulfonamide Inhibitors of Murd: Activity Optimisation with Conformationally Rigid Analogues of D-Glutamic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Second-Generation Sulfonamide Inhibitors of Murd: Activity Optimisation with Conformationally Rigid Analogues of D-Glutamic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F500

b:37.0
occ:1.00
 F25 A:051500 0.0 37.0 1.0
C25 A:051500 1.4 36.1 1.0
C24 A:051500 2.4 32.6 1.0
C26 A:051500 2.4 28.7 1.0
C23 A:051500 2.8 36.8 1.0
CZ A:ARG37 3.0 26.7 1.0
NE A:ARG37 3.1 27.4 1.0
NH1 A:ARG37 3.1 25.3 1.0
CD A:ARG37 3.3 29.1 1.0
C29 A:051500 3.6 30.3 1.0
C27 A:051500 3.6 23.2 1.0
NH2 A:ARG37 3.7 26.8 1.0
CG A:ARG37 4.1 33.6 1.0
C28 A:051500 4.1 25.9 1.0
C21 A:051500 4.1 31.2 1.0
O22 A:051500 4.2 26.3 1.0
O A:HOH2060 4.5 37.8 1.0
C20 A:051500 4.7 31.9 1.0
C30 A:051500 4.7 25.9 1.0
OD1 A:ASP35 4.7 23.4 1.0
O A:HOH2062 4.7 37.9 1.0

Reference:

I.Sosi, H.Barreteau, M.Sim, R.Sink, J.Cesar, A.Zega, S.G.Grdadolnik, C.Contreras-Martel, A.Dessen, A.Amoroso, B.Joris, D.Blanot, S.Gobec. Second-Generation Sulfonamide Inhibitors of D- Glutamic Acid-Adding Enzyme: Activity Optimisation with Conformationally Rigid Analogues of D- Glutamic Acid. Eur.J.Med.Chem V. 46 2880 2011.
ISSN: ISSN 0223-5234
PubMed: 21524830
DOI: 10.1016/J.EJMECH.2011.04.011
Page generated: Wed Jul 31 16:40:30 2024

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