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

Protein crystallography data

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

Chlorine Binding Sites:

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 6pk0

Go back to Chlorine Binding Sites List in 6pk0
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 6pk0

Go back to Chlorine Binding Sites List in 6pk0
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

Reference:

A.Akhtar, Y.Chen. Crystal Structure of Oxa-48 with Hydrolyzed Imipenem To Be Published.
Page generated: Sat Jul 12 18:25:31 2025

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