Chlorine in PDB 8c4d: N-Acetylmuramoyl-L-Alanine Amidase From Enterococcus Faecium Prophage Genome

The structure of N-Acetylmuramoyl-L-Alanine Amidase From Enterococcus Faecium Prophage Genome, PDB code: 8c4d was solved by A.C.Papageorgiou, G.E.Premetis, N.E.Labrou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.73 / 1.97
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.713, 74.713, 133.272, 90, 90, 90
R / Rfree (%)	17.3 / 19.5

The structure of N-Acetylmuramoyl-L-Alanine Amidase From Enterococcus Faecium Prophage Genome also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Sodium	(Na)	3 atoms

The binding sites of Chlorine atom in the N-Acetylmuramoyl-L-Alanine Amidase From Enterococcus Faecium Prophage Genome (pdb code 8c4d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the N-Acetylmuramoyl-L-Alanine Amidase From Enterococcus Faecium Prophage Genome, PDB code: 8c4d:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the N-Acetylmuramoyl-L-Alanine Amidase From Enterococcus Faecium Prophage Genome


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of N-Acetylmuramoyl-L-Alanine Amidase From Enterococcus Faecium Prophage Genome within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:60.4 occ:1.00 O A:HOH655 2.3 55.7 1.0 ZN A:ZN402 2.8 37.8 1.0 OE1 A:GLU90 3.0 37.2 1.0 O A:HOH599 3.6 60.1 1.0 O A:ASN28 3.7 26.8 1.0 CD A:GLU90 3.9 34.7 1.0 OE2 A:GLU90 4.0 31.8 1.0 SG A:CYS140 4.0 30.6 1.0 ND1 A:HIS27 4.1 24.6 1.0 O A:HOH629 4.1 58.5 1.0 ND1 A:HIS132 4.2 32.6 1.0 CB A:HIS27 4.3 25.2 1.0 CE1 A:HIS132 4.5 33.8 1.0 CG A:HIS27 4.5 23.9 1.0 C A:ASN28 4.6 27.2 1.0 CB A:CYS140 4.7 40.4 1.0 NA A:NA408 4.7 62.7 1.0 CA A:THR29 5.0 30.2 1.0

Chlorine binding site 2 out of 4 in the N-Acetylmuramoyl-L-Alanine Amidase From Enterococcus Faecium Prophage Genome


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of N-Acetylmuramoyl-L-Alanine Amidase From Enterococcus Faecium Prophage Genome within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:81.0 occ:1.00 O A:HIS133 4.0 34.1 1.0 N A:SER136 4.3 33.7 1.0 O A:GLN134 4.3 33.5 1.0 C A:PHE135 4.3 33.7 1.0 O A:PHE135 4.4 33.2 1.0 CA A:SER136 4.5 39.3 1.0 C A:GLN134 4.5 27.6 1.0 C A:SER136 4.7 42.5 1.0 N A:PHE135 4.8 28.7 1.0 O A:SER136 5.0 41.2 1.0 CA A:PHE135 5.0 32.2 1.0

Chlorine binding site 3 out of 4 in the N-Acetylmuramoyl-L-Alanine Amidase From Enterococcus Faecium Prophage Genome


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of N-Acetylmuramoyl-L-Alanine Amidase From Enterococcus Faecium Prophage Genome within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:71.6 occ:1.00 N A:LYS99 3.4 41.7 1.0 O A:HOH602 3.5 45.7 1.0 O A:HOH609 3.6 56.8 1.0 CB A:LYS99 4.0 45.4 1.0 CA A:PRO98 4.0 38.7 1.0 C A:PRO98 4.2 40.4 1.0 CA A:LYS99 4.3 42.5 1.0 O A:HOH635 4.4 61.7 1.0 CB A:PRO98 4.4 39.8 1.0 O A:HOH645 4.5 62.7 1.0

Chlorine binding site 4 out of 4 in the N-Acetylmuramoyl-L-Alanine Amidase From Enterococcus Faecium Prophage Genome


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of N-Acetylmuramoyl-L-Alanine Amidase From Enterococcus Faecium Prophage Genome within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:71.0 occ:1.00 O A:HOH684 2.3 53.5 1.0 O A:GLU51 3.6 32.1 1.0 CD2 A:TRP75 3.6 24.2 1.0 CG A:TRP75 3.7 23.9 1.0 CE2 A:TRP75 3.8 26.4 1.0 CD1 A:TRP75 3.9 26.9 1.0 NE1 A:TRP75 4.0 27.1 1.0 CE3 A:TRP75 4.1 24.1 1.0 CB A:TRP75 4.3 25.2 1.0 CZ2 A:TRP75 4.4 29.4 1.0 C A:GLU51 4.5 29.0 1.0 CA A:GLU51 4.6 28.5 1.0 CZ3 A:TRP75 4.7 32.2 1.0 O A:HOH597 4.7 38.1 1.0 CB A:GLU51 4.7 27.9 1.0 CH2 A:TRP75 4.8 30.3 1.0

G.E.Premetis, A.Stathi, A.C.Papageorgiou, N.E.Labrou. Structural and Functional Features of A Broad-Spectrum Prophage-Encoded Enzybiotic From Enterococcus Faecium. Sci Rep V. 13 7450 2023.
ISSN: ESSN 2045-2322
PubMed: 37156923
DOI: 10.1038/S41598-023-34309-2