Chlorine in PDB 8wt3: Crystal Structure of Peptidoglycan Dl-Endopeptidase Cwlo

The structure of Crystal Structure of Peptidoglycan Dl-Endopeptidase Cwlo, PDB code: 8wt3 was solved by S.Tandukar, E.Kwon, D.Y.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.84 / 1.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.32, 58.13, 74.56, 90, 90, 90
R / Rfree (%)	14.9 / 15.5

The binding sites of Chlorine atom in the Crystal Structure of Peptidoglycan Dl-Endopeptidase Cwlo (pdb code 8wt3). 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 Peptidoglycan Dl-Endopeptidase Cwlo, PDB code: 8wt3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Peptidoglycan Dl-Endopeptidase Cwlo


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 Peptidoglycan Dl-Endopeptidase Cwlo within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:9.6 occ:1.00 HH22 A:ARG382 2.4 8.4 1.0 HH12 A:ARG382 2.7 9.3 1.0 O A:HOH779 3.1 10.5 1.0 HD13 A:ILE370 3.2 11.9 1.0 NH2 A:ARG382 3.2 7.0 1.0 O A:HOH673 3.2 12.4 1.0 HD1 A:TRP383 3.4 7.9 1.0 O A:HOH791 3.4 18.8 1.0 NH1 A:ARG382 3.5 7.8 1.0 HB3 A:ALA386 3.6 8.3 1.0 HG21 A:ILE370 3.6 10.7 1.0 HB1 A:ALA386 3.8 8.3 1.0 CZ A:ARG382 3.8 7.0 1.0 HH21 A:ARG382 3.9 8.4 1.0 HA A:TRP383 4.1 6.3 1.0 HG22 A:VAL395 4.1 13.3 1.0 CB A:ALA386 4.1 7.0 1.0 CD1 A:ILE370 4.1 9.9 1.0 HH11 A:ARG382 4.2 9.3 1.0 CD1 A:TRP383 4.3 6.6 1.0 HB2 A:ALA386 4.4 8.3 1.0 HD11 A:ILE370 4.4 11.9 1.0 HG21 A:VAL395 4.5 13.3 1.0 HE22 A:GLN367 4.5 11.2 1.0 HD12 A:ILE370 4.5 11.9 1.0 O A:HOH620 4.6 17.0 1.0 CG2 A:ILE370 4.6 8.9 1.0 CG2 A:VAL395 4.7 11.1 1.0 HB2 A:TRP383 4.9 7.2 1.0 HG23 A:ILE370 4.9 10.7 1.0 HG12 A:ILE370 4.9 9.9 1.0 HG A:SER387 5.0 11.4 1.0 CA A:TRP383 5.0 5.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Peptidoglycan Dl-Endopeptidase Cwlo


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 Peptidoglycan Dl-Endopeptidase Cwlo within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:10.0 occ:1.00 HH22 B:ARG382 2.4 9.2 1.0 HH12 B:ARG382 2.8 9.7 1.0 O B:HOH774 3.1 13.2 1.0 O B:HOH647 3.2 13.0 1.0 HD1 B:TRP383 3.2 7.6 1.0 NH2 B:ARG382 3.2 7.7 1.0 HD13 B:ILE370 3.2 10.9 1.0 O B:HOH772 3.3 26.2 1.0 HG21 B:ILE370 3.5 9.9 1.0 NH1 B:ARG382 3.5 8.1 1.0 HB3 B:ALA386 3.5 7.5 1.0 HB1 B:ALA386 3.8 7.5 1.0 CZ B:ARG382 3.8 6.7 1.0 HH21 B:ARG382 3.8 9.2 1.0 HA B:TRP383 4.0 6.4 1.0 CB B:ALA386 4.1 6.3 1.0 CD1 B:TRP383 4.1 6.3 1.0 CD1 B:ILE370 4.2 9.1 1.0 HH11 B:ARG382 4.2 9.7 1.0 HG22 B:VAL395 4.3 14.3 1.0 CG2 B:ILE370 4.4 8.2 1.0 HB2 B:ALA386 4.5 7.5 1.0 HE22 B:GLN367 4.5 10.6 1.0 HD11 B:ILE370 4.5 10.9 1.0 HD12 B:ILE370 4.6 10.9 1.0 O B:HOH629 4.6 12.0 1.0 HG23 B:ILE370 4.7 9.9 1.0 HG21 B:VAL395 4.8 14.3 1.0 HB2 B:TRP383 4.8 7.6 1.0 CA B:TRP383 4.8 5.3 1.0 HG22 B:ILE370 4.9 9.9 1.0 HG12 B:ILE370 4.9 9.4 1.0 HG B:SER387 4.9 8.8 1.0 CG2 B:VAL395 4.9 11.9 1.0 HE1 B:TRP383 5.0 7.4 1.0 CG B:TRP383 5.0 5.7 1.0

S.Tandukar, E.Kwon, D.Y.Kim. Structural Analysis of the Peptidoglycan Dl-Endopeptidase Cwlo Complexed with Its Inhibitory Protein Isea. Febs J. 2024.
ISSN: ISSN 1742-464X
PubMed: 38840475
DOI: 10.1111/FEBS.17197