Chlorine in PDB 6vje: Penicillin-Binding Protein in Complex with Antibiotic

All present enzymatic activity of Penicillin-Binding Protein in Complex with Antibiotic:
3.4.16.4;

The structure of Penicillin-Binding Protein in Complex with Antibiotic, PDB code: 6vje was solved by F.Van Den Akker, V.Kumar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.61 / 1.76
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.195, 83.739, 89.918, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 25.2

The binding sites of Chlorine atom in the Penicillin-Binding Protein in Complex with Antibiotic (pdb code 6vje). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Penicillin-Binding Protein in Complex with Antibiotic, PDB code: 6vje:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Penicillin-Binding Protein in Complex with Antibiotic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Penicillin-Binding Protein in Complex with Antibiotic within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:48.0 occ:1.00 O A:HOH740 3.0 44.8 1.0 N A:VAL537 3.2 34.3 1.0 N A:SER538 3.2 34.6 1.0 CA A:GLY535 3.4 53.4 1.0 N A:LEU536 3.4 73.9 1.0 C A:GLY535 3.5 68.5 1.0 OG A:SER538 3.5 38.0 1.0 O A:HOH823 3.6 41.9 1.0 N A:ALA539 3.6 28.9 1.0 O A:HOH903 3.7 60.8 1.0 N A:GLY535 3.7 46.8 1.0 CA A:VAL537 3.8 31.0 1.0 OG A:SER505 3.8 36.7 1.0 CB A:VAL537 3.9 41.9 1.0 C A:VAL537 3.9 33.9 1.0 CA A:SER538 4.1 30.2 1.0 C A:LEU536 4.2 46.0 1.0 O A:GLY535 4.2 51.6 1.0 CB A:ALA539 4.2 32.8 1.0 CA A:LEU536 4.3 67.4 1.0 CB A:SER538 4.4 31.8 1.0 C A:SER538 4.4 31.1 1.0 O A:PHE533 4.5 46.4 1.0 CA A:ALA539 4.6 35.4 1.0 CG2 A:VAL537 4.6 52.7 1.0 CB A:PHE533 4.7 55.8 1.0 O A:HOH858 4.8 50.4 1.0 C A:PHE533 4.9 54.4 1.0 C A:GLY534 5.0 49.8 1.0 CD A:PRO540 5.0 39.6 1.0

Chlorine binding site 2 out of 2 in the Penicillin-Binding Protein in Complex with Antibiotic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Penicillin-Binding Protein in Complex with Antibiotic within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:53.0 occ:1.00 N A:ARG335 3.4 30.3 1.0 CB A:ARG335 3.9 32.1 1.0 CZ A:ARG335 4.0 36.0 1.0 CA A:ARG335 4.0 24.6 1.0 NH2 A:ARG335 4.0 43.1 1.0 CA A:SER334 4.2 34.8 1.0 O A:VAL333 4.2 42.8 1.0 C A:SER334 4.2 36.2 1.0 NH1 A:ARG335 4.3 45.5 1.0 NE A:ARG335 4.4 32.3 1.0 C A:ARG335 4.4 32.0 1.0 CG A:ARG335 4.4 40.7 1.0 OD1 A:ASN336 4.5 31.5 1.0 O A:ARG335 4.8 30.4 1.0 N A:ASN336 4.9 30.5 1.0 CG A:ASN336 5.0 41.2 1.0 OG A:SER334 5.0 57.4 1.0

V.Kumar, C.Tang, C.R.Bethel, K.M.Papp-Wallace, J.Wyatt, E.Desarbre, R.A.Bonomo, F.Van Den Akker. Structural Insights Into Ceftobiprole Inhibition of Pseudomonas Aeruginosa Penicillin-Binding Protein 3 Antimicrob.Agents Chemother. 2020.
ISSN: ESSN 1098-6596