Chlorine in PDB 6pxx: Class D Beta-Lactamase in Complex with Beta-Lactam Antibiotic

All present enzymatic activity of Class D Beta-Lactamase in Complex with Beta-Lactam Antibiotic:
3.5.2.6;

The structure of Class D Beta-Lactamase in Complex with Beta-Lactam Antibiotic, PDB code: 6pxx 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)	40.00 / 1.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.770, 125.092, 45.120, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 17.2

The binding sites of Chlorine atom in the Class D Beta-Lactamase in Complex with Beta-Lactam Antibiotic (pdb code 6pxx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Class D Beta-Lactamase in Complex with Beta-Lactam Antibiotic, PDB code: 6pxx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Class D Beta-Lactamase in Complex with Beta-Lactam Antibiotic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Class D Beta-Lactamase in Complex with Beta-Lactam Antibiotic within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:12.2 occ:1.00 O B:HOH657 3.1 31.7 1.0 NH1 B:ARG206 3.2 8.1 1.0 NH2 A:ARG206 3.2 9.4 1.0 NH2 B:ARG206 3.2 9.1 1.0 NH1 A:ARG206 3.2 8.6 1.0 O A:HOH666 3.3 26.0 1.0 CZ A:ARG206 3.7 7.7 1.0 CZ B:ARG206 3.7 7.6 1.0 CD2 A:LEU196 4.3 9.8 1.0 CD2 B:LEU196 4.3 8.7 1.0 CA A:GLN193 4.3 7.9 1.0 CA B:GLN193 4.3 7.6 1.0 CG A:GLN193 4.4 9.8 1.0 CG B:GLN193 4.4 9.4 1.0 CB A:GLN193 4.6 9.0 1.0 CB B:GLN193 4.6 8.4 1.0 CB A:LEU196 4.8 7.4 1.0 CB B:LEU196 4.9 8.2 1.0 NE A:ARG206 5.0 7.7 1.0 CG B:LEU196 5.0 8.4 1.0 O A:GLN193 5.0 8.4 1.0 NE B:ARG206 5.0 7.2 1.0 O B:GLN193 5.0 9.1 1.0 CG A:LEU196 5.0 7.8 1.0

Chlorine binding site 2 out of 2 in the Class D Beta-Lactamase in Complex with Beta-Lactam Antibiotic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Class D Beta-Lactamase in Complex with Beta-Lactam Antibiotic within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:18.0 occ:1.00 O B:HOH641 3.0 15.2 1.0 O B:HOH667 3.1 28.3 1.0 NE1 B:TRP157 3.2 11.3 1.0 CD2 B:TYR123 3.7 12.4 1.0 CA B:SER70 3.8 9.7 1.0 CG2 B:VAL120 4.0 14.1 1.0 CB B:TYR123 4.0 10.9 1.0 CD1 B:TRP157 4.0 9.7 1.0 CG B:TYR123 4.1 12.2 1.0 CE2 B:TRP157 4.2 10.3 1.0 OG B:SER70 4.3 15.7 1.0 CA B:VAL120 4.4 12.3 1.0 CB B:SER70 4.4 11.1 1.0 O B:ALA69 4.4 9.4 1.0 CZ2 B:TRP157 4.5 11.5 1.0 CE2 B:TYR123 4.5 13.2 1.0 N B:SER70 4.6 10.0 1.0 O B:SER70 4.6 8.6 1.0 CB B:VAL120 4.6 13.0 1.0 C B:SER70 4.7 8.6 1.0 C B:ALA69 4.7 9.8 1.0 N B:ALA73 4.8 8.0 1.0 CG1 B:VAL120 4.8 15.6 1.0 CAA B:5R7301 4.8 18.7 1.0 CB B:ALA73 4.9 8.3 1.0 CD2 B:LEU158 5.0 15.3 1.0 N B:VAL120 5.0 12.2 1.0

K.M.Papp-Wallace, V.Kumar, E.T.Zeiser, S.A.Becka, F.Van Den Akker. Structural Analysis of the Oxa-48 Carbapenemase Bound to A "Poor" Carbapenem Substrate, Doripenem. Antibiotics V. 8 2019.
ISSN: ESSN 2079-6382
PubMed: 31514291
DOI: 10.3390/ANTIBIOTICS8030145