Chlorine in PDB 3qy3: PA2801 Protein, A Putative Thioesterase From Pseudomonas Aeruginosa

The structure of PA2801 Protein, A Putative Thioesterase From Pseudomonas Aeruginosa, PDB code: 3qy3 was solved by J.Osipiuk, X.Xu, A.Savchenko, A.Edwards, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.70 / 1.75
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	53.816, 58.907, 85.509, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 20.8

The binding sites of Chlorine atom in the PA2801 Protein, A Putative Thioesterase From Pseudomonas Aeruginosa (pdb code 3qy3). 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 PA2801 Protein, A Putative Thioesterase From Pseudomonas Aeruginosa, PDB code: 3qy3:

Chlorine binding site 1 out of 1 in the PA2801 Protein, A Putative Thioesterase From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of PA2801 Protein, A Putative Thioesterase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:25.5 occ:1.00 N A:THR74 3.2 20.8 1.0 O A:HOH182 3.3 32.6 1.0 N A:GLU99 3.4 30.9 1.0 CA A:ALA73 3.6 21.0 1.0 N A:LEU98 3.7 26.8 1.0 CB A:GLU99 3.8 34.3 1.0 CB A:THR97 3.8 25.4 1.0 O A:THR74 3.8 21.8 1.0 CG A:GLU99 3.8 35.3 1.0 CB A:LEU98 3.9 29.9 1.0 C A:ALA73 3.9 21.0 1.0 CB A:ALA73 4.0 21.1 1.0 CA A:LEU98 4.1 28.7 1.0 CA A:THR74 4.2 21.7 1.0 OG1 A:THR97 4.2 25.0 1.0 C A:LEU98 4.2 30.3 1.0 CA A:GLU99 4.2 33.0 1.0 CD A:GLU99 4.3 40.6 1.0 C A:THR74 4.4 20.9 1.0 C A:THR97 4.4 26.8 1.0 CB A:THR74 4.4 22.8 1.0 O A:HOH204 4.5 40.2 1.0 CA A:THR97 4.6 25.3 1.0 OE1 A:GLU99 4.7 40.1 1.0 OE2 A:GLU99 4.7 42.8 1.0 CG2 A:THR97 4.8 25.6 1.0 O A:HOH160 4.8 30.4 1.0 OG1 A:THR74 4.9 26.5 1.0 N A:ALA73 4.9 21.0 1.0 O A:PRO72 5.0 22.2 1.0

C.F.Gonzalez, A.Tchigvintsev, G.Brown, R.Flick, E.Evdokimova, X.Xu, J.Osipiuk, M.E.Cuff, S.Lynch, A.Joachimiak, A.Savchenko, A.F.Yakunin. Structure and Activity of the Pseudomonas Aeruginosa Hotdog-Fold Thioesterases PA5202 and PA2801. Biochem.J. V. 444 445 2012.
ISSN: ISSN 0264-6021
PubMed: 22439787
DOI: 10.1042/BJ20112032