Chlorine in PDB 6bsr: Crystal Structure of Penicillin-Binding Protein 4 (PBP4) From Enterococcus Faecalis in the Benzylpenicillin Bound Form.

The structure of Crystal Structure of Penicillin-Binding Protein 4 (PBP4) From Enterococcus Faecalis in the Benzylpenicillin Bound Form., PDB code: 6bsr was solved by T.M.Moon, E.D.D'andrea, W.Peti, R.Page, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.65 / 2.34
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	123.306, 85.469, 83.685, 90.00, 109.46, 90.00
R / Rfree (%)	20 / 22.5

The binding sites of Chlorine atom in the Crystal Structure of Penicillin-Binding Protein 4 (PBP4) From Enterococcus Faecalis in the Benzylpenicillin Bound Form. (pdb code 6bsr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Penicillin-Binding Protein 4 (PBP4) From Enterococcus Faecalis in the Benzylpenicillin Bound Form., PDB code: 6bsr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Penicillin-Binding Protein 4 (PBP4) From Enterococcus Faecalis in the Benzylpenicillin Bound Form.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Penicillin-Binding Protein 4 (PBP4) From Enterococcus Faecalis in the Benzylpenicillin Bound Form. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl706 b:29.8 occ:1.00 N A:LEU570 2.9 16.1 1.0 N A:VAL571 3.3 17.2 1.0 CD A:LYS574 3.7 65.3 1.0 NZ A:LYS574 3.7 53.4 1.0 CA A:LYS569 3.7 22.6 1.0 CA A:LEU570 3.8 14.8 1.0 C A:LYS569 3.8 15.4 1.0 CD2 A:LEU514 3.9 15.9 1.0 CD A:PRO515 3.9 26.4 1.0 CB A:LEU570 3.9 19.0 1.0 O A:ASP513 4.0 65.7 1.0 CE A:LYS574 4.0 54.6 1.0 CG2 A:VAL571 4.0 20.8 1.0 C A:LEU570 4.0 23.5 1.0 CB A:LYS569 4.1 18.1 1.0 CB A:VAL571 4.2 22.2 1.0 CA A:VAL571 4.3 18.9 1.0 CG A:LYS574 4.7 44.3 1.0 CB A:LYS574 4.7 31.4 1.0 CG A:PRO515 4.7 31.0 1.0 CA A:LEU514 4.8 23.1 1.0 O A:VAL571 4.8 19.1 1.0 O A:PRO568 5.0 13.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Penicillin-Binding Protein 4 (PBP4) From Enterococcus Faecalis in the Benzylpenicillin Bound Form.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Penicillin-Binding Protein 4 (PBP4) From Enterococcus Faecalis in the Benzylpenicillin Bound Form. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl707 b:47.1 occ:1.00 OG1 A:THR620 2.9 30.8 1.0 O A:HOH893 2.9 31.5 1.0 N A:THR620 3.0 21.9 1.0 CB A:THR620 3.7 22.2 1.0 OG A:SER598 3.7 17.6 1.0 CD A:LYS619 3.7 12.8 1.0 CA A:LYS619 3.8 22.8 1.0 NZ A:LYS619 3.8 20.5 1.0 CD2 A:TYR605 3.8 31.6 1.0 CG2 A:THR620 3.8 18.0 1.0 CA A:THR620 3.8 19.9 1.0 C A:LYS619 3.9 20.3 1.0 CE A:LYS619 4.2 26.8 1.0 O A:LEU479 4.2 10.3 1.0 CB A:SER598 4.2 17.3 1.0 CB A:TYR605 4.3 30.5 1.0 O A:VAL480 4.4 18.5 1.0 O A:THR620 4.4 26.3 1.0 CG A:LYS619 4.5 15.9 1.0 C A:THR620 4.5 27.2 1.0 CG A:TYR605 4.5 33.3 1.0 O13 A:PG1424 4.6 26.9 1.0 CB A:LYS619 4.7 18.6 1.0 CE2 A:TYR605 4.7 29.2 1.0 N A:LYS619 4.7 16.4 1.0 O A:ALA618 4.8 16.6 1.0 CG2 A:VAL606 4.8 13.1 1.0 CB A:SER482 4.9 21.5 1.0

T.M.Moon, E.D.D'andrea, C.W.Lee, A.Soares, J.Jakoncic, C.Desbonnet, M.Garcia-Solache, L.B.Rice, R.Page, W.Peti. The Structures of Penicillin-Binding Protein 4 (PBP4) and PBP5 Fromenterococciprovide Structural Insights Into Beta-Lactam Resistance. J. Biol. Chem. V. 293 18574 2018.
ISSN: ESSN 1083-351X
PubMed: 30355734
DOI: 10.1074/JBC.RA118.006052