Chlorine in PDB 6pk0: Crystal Structure of Oxa-48 with Hydrolyzed Imipenem

The structure of Crystal Structure of Oxa-48 with Hydrolyzed Imipenem, PDB code: 6pk0 was solved by A.Akhtar, Y.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.59 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.050, 105.430, 93.570, 90.00, 107.96, 90.00
R / Rfree (%)	15.9 / 20.2

The binding sites of Chlorine atom in the Crystal Structure of Oxa-48 with Hydrolyzed Imipenem (pdb code 6pk0). 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 Oxa-48 with Hydrolyzed Imipenem, PDB code: 6pk0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Oxa-48 with Hydrolyzed Imipenem


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 Oxa-48 with Hydrolyzed Imipenem within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:11.3 occ:1.00 O A:HOH572 3.0 21.1 1.0 NH1 A:ARG206 3.1 9.4 1.0 NH2 B:ARG206 3.1 7.6 1.0 O B:HOH577 3.1 23.1 1.0 NH2 A:ARG206 3.2 8.1 1.0 NH1 B:ARG206 3.2 9.3 1.0 CZ A:ARG206 3.6 9.3 1.0 CZ B:ARG206 3.6 8.4 1.0 CD2 A:LEU196 4.2 8.4 1.0 CD2 B:LEU196 4.2 9.2 1.0 CA B:GLN193 4.2 6.7 1.0 CA A:GLN193 4.3 6.1 1.0 CG A:GLN193 4.4 8.7 1.0 CG B:GLN193 4.4 8.9 1.0 CB B:GLN193 4.5 7.2 1.0 CB A:GLN193 4.5 8.0 1.0 CB A:LEU196 4.7 6.6 1.0 CB B:LEU196 4.8 7.0 1.0 CG A:LEU196 4.9 7.6 1.0 NE A:ARG206 4.9 6.5 1.0 O A:GLN193 4.9 8.8 1.0 NE B:ARG206 4.9 6.3 1.0 O B:HOH430 4.9 21.6 1.0 O B:GLN193 5.0 8.5 1.0 CG B:LEU196 5.0 8.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Oxa-48 with Hydrolyzed Imipenem


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 Oxa-48 with Hydrolyzed Imipenem within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:14.7 occ:1.00 NH2 C:ARG206 3.1 12.4 1.0 NH1 C:ARG206 3.1 8.2 1.0 NH2 D:ARG206 3.2 9.8 1.0 O D:HOH556 3.2 21.9 1.0 O C:HOH566 3.3 22.7 1.0 NH1 D:ARG206 3.3 11.2 1.0 CZ C:ARG206 3.5 10.5 1.0 CZ D:ARG206 3.7 14.1 1.0 CA C:GLN193 4.2 8.6 1.0 CD2 D:LEU196 4.2 9.8 1.0 CA D:GLN193 4.3 11.1 1.0 CD2 C:LEU196 4.3 12.5 1.0 CG C:GLN193 4.4 11.6 1.0 CG D:GLN193 4.4 12.1 1.0 CB C:GLN193 4.5 9.6 1.0 CB D:GLN193 4.5 10.9 1.0 CB C:LEU196 4.8 9.2 1.0 O C:GLN193 4.8 10.5 1.0 NE C:ARG206 4.8 8.6 1.0 CB D:LEU196 4.9 11.3 1.0 O D:GLN193 4.9 10.9 1.0 NE D:ARG206 4.9 12.8 1.0 CG C:LEU196 5.0 8.8 1.0 O C:HOH438 5.0 24.4 1.0

A.Akhtar, Y.Chen. Crystal Structure of Oxa-48 with Hydrolyzed Imipenem To Be Published.