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Chlorine 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:

Fluorine (F) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Second-Generation Sulfonamide Inhibitors of Murd: Activity Optimisation with Conformationally Rigid Analogues of D-Glutamic Acid, PDB code: 2xpc:

Chlorine binding site 1 out of 1 in 2xpc

Go back to Chlorine Binding Sites List in 2xpc
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1505

b:60.0
occ:1.00
O A:HOH2176 3.5 40.2 1.0
O A:HOH2399 3.7 35.5 1.0
O A:HOH2397 3.8 43.2 1.0
OD1 A:ASN363 4.4 42.9 1.0
O A:HOH2392 4.7 39.9 1.0
O A:ASN360 4.9 34.2 1.0
CA A:GLY361 4.9 37.8 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: Sat Dec 12 09:26:36 2020

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