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Chlorine in PDB 2y66: New 5-Benzylidenethiazolidine-4-One Inhibitors of Bacterial Murd Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation

Enzymatic activity of New 5-Benzylidenethiazolidine-4-One Inhibitors of Bacterial Murd Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation

All present enzymatic activity of New 5-Benzylidenethiazolidine-4-One Inhibitors of Bacterial Murd Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation:
6.3.2.9;

Protein crystallography data

The structure of New 5-Benzylidenethiazolidine-4-One Inhibitors of Bacterial Murd Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation, PDB code: 2y66 was solved by N.Zidar, T.Tomasic, R.Sink, A.Kovac, D.Patin, D.Blanot, C.Contreras-Martel, A.Dessen, M.Muller-Premru, A.Zega, S.Gobec, L.Peterlin-Masic, D.Kikelj, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.39 / 1.49
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 65.604, 65.604, 134.892, 90.00, 90.00, 90.00
R / Rfree (%) 18.708 / 21.686

Chlorine Binding Sites:

The binding sites of Chlorine atom in the New 5-Benzylidenethiazolidine-4-One Inhibitors of Bacterial Murd Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation (pdb code 2y66). 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 New 5-Benzylidenethiazolidine-4-One Inhibitors of Bacterial Murd Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation, PDB code: 2y66:

Chlorine binding site 1 out of 1 in 2y66

Go back to Chlorine Binding Sites List in 2y66
Chlorine binding site 1 out of 1 in the New 5-Benzylidenethiazolidine-4-One Inhibitors of Bacterial Murd Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of New 5-Benzylidenethiazolidine-4-One Inhibitors of Bacterial Murd Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1442

b:50.9
occ:1.00
 O A:HOH2110 2.4 48.0 1.0
N A:LEU57 3.0 20.4 1.0
O A:HOH2113 3.0 40.2 1.0
CB A:SER56 3.7 22.4 1.0
CA A:SER56 3.8 21.6 1.0
C A:SER56 3.9 19.8 1.0
NE2 A:HIS78 3.9 30.1 1.0
CB A:LEU57 3.9 20.0 1.0
CA A:LEU57 3.9 21.2 1.0
CE1 A:HIS78 4.1 27.6 1.0
CG A:LEU57 4.1 19.9 1.0
O A:LEU57 4.1 24.3 1.0
C A:LEU57 4.5 20.5 1.0
CG2 A:THR36 4.5 26.3 1.0
CD1 A:LEU57 4.9 24.9 1.0
OG A:SER56 4.9 24.0 1.0

Reference:

N.Zidar, T.Tomasic, R.Sink, A.Kovac, D.Patin, D.Blanot, C.Contreras-Martel, A.Dessen, M.M.Premru, A.Zega, S.Gobec, L.P.Masic, D.Kikelj. New 5-Benzylidenethiazolidin-4-One Inhibitors of Bacterial Murd Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation. Eur.J.Med.Chem V. 46 5512 2011.
ISSN: ISSN 0223-5234
PubMed: 21963114
DOI: 10.1016/J.EJMECH.2011.09.017
Page generated: Sat Dec 12 09:28:12 2020

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