Chlorine in PDB 6bsq: Enterococcus Faecalis Penicillin Binding Protein 4 (PBP4)

The structure of Enterococcus Faecalis Penicillin Binding Protein 4 (PBP4), PDB code: 6bsq 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)	17.51 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	124.709, 84.625, 85.093, 90.00, 109.26, 90.00
R / Rfree (%)	19.1 / 21.7

The binding sites of Chlorine atom in the Enterococcus Faecalis Penicillin Binding Protein 4 (PBP4) (pdb code 6bsq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Enterococcus Faecalis Penicillin Binding Protein 4 (PBP4), PDB code: 6bsq:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Enterococcus Faecalis Penicillin Binding Protein 4 (PBP4)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Enterococcus Faecalis Penicillin Binding Protein 4 (PBP4) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:20.9 occ:0.75 O A:HOH1362 2.9 24.6 1.0 O A:HOH1018 3.1 18.2 1.0 N A:SER386 3.2 12.8 1.0 CA A:PRO385 3.6 14.1 1.0 CB A:PRO385 3.7 13.6 1.0 OE1 A:GLU271 3.8 45.4 1.0 C A:PRO385 3.9 12.4 1.0 CZ A:PHE358 4.0 13.6 1.0 CG A:LYS363 4.1 22.5 1.0 O A:SER386 4.2 15.7 1.0 CA A:LYS363 4.2 14.9 1.0 CA A:SER386 4.2 13.9 1.0 O A:HOH924 4.4 27.6 1.0 CB A:SER386 4.5 10.2 1.0 C A:SER386 4.5 18.1 1.0 CB A:LYS363 4.6 27.7 1.0 N A:LYS363 4.6 15.1 1.0 OG A:SER384 4.6 14.2 1.0 CD A:GLU271 4.7 36.3 1.0 CE1 A:PHE358 4.8 15.9 1.0 O A:HOH1275 4.9 39.4 1.0 CE2 A:PHE358 4.9 16.4 1.0 N A:PRO385 5.0 13.3 1.0

Chlorine binding site 2 out of 3 in the Enterococcus Faecalis Penicillin Binding Protein 4 (PBP4)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Enterococcus Faecalis Penicillin Binding Protein 4 (PBP4) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:18.4 occ:1.00 O A:HOH1361 2.8 30.0 1.0 O A:HOH1216 2.9 35.3 1.0 N A:LEU570 3.0 9.6 1.0 N A:VAL571 3.3 13.0 1.0 CD A:LYS574 3.4 38.8 1.0 CD A:PRO515 3.8 14.9 1.0 CA A:LEU570 3.9 10.3 1.0 CA A:LYS569 3.9 10.4 1.0 C A:LYS569 3.9 12.0 1.0 CG2 A:VAL571 4.0 12.0 1.0 CE A:LYS574 4.0 49.6 1.0 CB A:LEU570 4.0 11.1 1.0 C A:LEU570 4.0 11.7 1.0 CB A:VAL571 4.1 13.8 1.0 CD1 A:LEU514 4.1 12.1 1.0 CB A:LYS569 4.2 17.1 1.0 CA A:VAL571 4.3 13.2 1.0 CB A:LYS574 4.5 14.5 1.0 CG A:LYS574 4.5 31.6 1.0 CA A:LEU514 4.7 13.9 1.0 CG A:PRO515 4.7 18.8 1.0 O A:VAL571 4.7 13.8 1.0 N A:PRO515 5.0 13.3 1.0

Chlorine binding site 3 out of 3 in the Enterococcus Faecalis Penicillin Binding Protein 4 (PBP4)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Enterococcus Faecalis Penicillin Binding Protein 4 (PBP4) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl705 b:19.6 occ:0.92 O A:HOH878 2.8 25.1 1.0 O A:HOH930 3.0 11.0 1.0 N A:THR620 3.1 7.5 1.0 OG1 A:THR620 3.1 12.7 1.0 OG A:SER598 3.4 7.5 0.7 CB A:SER598 3.5 11.5 0.3 CB A:SER598 3.6 11.6 0.7 CG2 A:THR620 3.7 8.2 1.0 CB A:THR620 3.8 9.6 1.0 CA A:LYS619 3.9 7.6 1.0 C A:LYS619 3.9 9.4 1.0 CD2 A:TYR605 4.0 18.6 1.0 CA A:THR620 4.0 6.4 1.0 CB A:TYR605 4.1 11.7 1.0 CG2 A:VAL606 4.2 9.2 1.0 O A:ALA618 4.3 5.7 1.0 OG A:SER598 4.4 6.8 0.3 NZ A:LYS619 4.4 22.4 1.0 CG A:TYR605 4.5 14.6 1.0 CD A:LYS619 4.5 12.6 1.0 O A:THR620 4.6 8.9 1.0 O A:VAL480 4.6 15.3 1.0 N A:LYS619 4.6 6.7 1.0 CA A:SER598 4.6 13.7 0.7 O A:LEU479 4.6 16.3 1.0 CA A:SER598 4.6 12.4 0.3 C A:ALA618 4.7 8.2 1.0 C A:THR620 4.8 8.3 1.0 N A:TYR605 4.8 11.2 1.0 CA A:TYR605 5.0 10.4 1.0 CB A:LYS619 5.0 7.8 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