Chlorine in PDB 3s22: Amp-C Beta-Lactamase (Pseudomonas Aeruginosa) in Complex with An Inhibitor

All present enzymatic activity of Amp-C Beta-Lactamase (Pseudomonas Aeruginosa) in Complex with An Inhibitor:
3.5.2.6;

The structure of Amp-C Beta-Lactamase (Pseudomonas Aeruginosa) in Complex with An Inhibitor, PDB code: 3s22 was solved by G.Scapin, J.Lu, P.M.D.Fitzgerald, N.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.891, 71.891, 105.889, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.9

The binding sites of Chlorine atom in the Amp-C Beta-Lactamase (Pseudomonas Aeruginosa) in Complex with An Inhibitor (pdb code 3s22). 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 Amp-C Beta-Lactamase (Pseudomonas Aeruginosa) in Complex with An Inhibitor, PDB code: 3s22:

Chlorine binding site 1 out of 1 in the Amp-C Beta-Lactamase (Pseudomonas Aeruginosa) in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Amp-C Beta-Lactamase (Pseudomonas Aeruginosa) in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl398 b:21.1 occ:1.00 O A:HOH697 2.6 33.2 1.0 O A:HOH414 3.0 13.9 1.0 O A:HOH592 3.2 29.3 1.0 N A:PHE147 3.3 15.8 1.0 CB A:ASN179 3.5 14.4 1.0 CA A:GLN146 3.5 15.2 1.0 N12 A:3S21 3.6 36.3 1.0 ND2 A:ASN179 3.6 18.6 1.0 CB A:GLN146 3.7 16.2 1.0 CD2 A:PHE147 3.7 16.8 1.0 C A:GLN146 3.9 14.6 1.0 CG A:ASN179 4.1 16.8 1.0 CE2 A:TYR249 4.2 12.5 1.0 CB A:PHE147 4.2 16.9 1.0 C1 A:3S21 4.3 40.4 1.0 CA A:PHE147 4.4 16.5 1.0 CG A:GLN146 4.4 20.4 1.0 CG A:PHE147 4.4 16.3 1.0 CD A:PRO180 4.5 13.6 1.0 O A:PRO243 4.6 12.5 1.0 CE2 A:PHE147 4.7 14.5 1.0 O A:LEU145 4.7 13.6 1.0 C6 A:3S21 4.8 35.5 1.0 C4 A:3S21 4.8 33.0 1.0 N A:GLN146 4.8 14.7 1.0 CA A:ASN179 4.8 13.6 1.0 O A:PHE147 4.9 17.7 1.0 OH A:TYR249 4.9 14.3 1.0 N A:PRO180 4.9 13.7 1.0 CD2 A:TYR249 4.9 12.4 1.0 CG A:PRO180 5.0 15.5 1.0 CZ A:TYR249 5.0 12.2 1.0

H.Chen, T.A.Blizzard, S.Kim, J.Wu, K.Young, Y.W.Park, A.M.Ogawa, S.Raghoobar, R.E.Painter, D.Wisniewski, N.Hairston, P.Fitzgerald, N.Sharma, G.Scapin, J.Lu, J.Hermes, M.L.Hammond. Side Chain Sar of Bicyclic Beta-Lactamase Inhibitors (Blis). 2. N-Alkylated and Open Chain Analogs of Mk-8712 Bioorg.Med.Chem.Lett. V. 21 4267 2011.
ISSN: ISSN 0960-894X
PubMed: 21676616
DOI: 10.1016/J.BMCL.2011.05.065