Chlorine in PDB 6eng: Crystal Structure of the 43K Atpase Domain of Escherichia Coli Gyrase B in Complex with An Aminocoumarin

All present enzymatic activity of Crystal Structure of the 43K Atpase Domain of Escherichia Coli Gyrase B in Complex with An Aminocoumarin:
5.99.1.3;

The structure of Crystal Structure of the 43K Atpase Domain of Escherichia Coli Gyrase B in Complex with An Aminocoumarin, PDB code: 6eng was solved by A.Vanden Broeck, A.G.Mcewen, V.Lamour, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.67 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.830, 128.070, 159.760, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 25.7

The structure of Crystal Structure of the 43K Atpase Domain of Escherichia Coli Gyrase B in Complex with An Aminocoumarin also contains other interesting chemical elements:

Potassium	(K)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of the 43K Atpase Domain of Escherichia Coli Gyrase B in Complex with An Aminocoumarin (pdb code 6eng). 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 the 43K Atpase Domain of Escherichia Coli Gyrase B in Complex with An Aminocoumarin, PDB code: 6eng:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the 43K Atpase Domain of Escherichia Coli Gyrase B in Complex with An Aminocoumarin


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 the 43K Atpase Domain of Escherichia Coli Gyrase B in Complex with An Aminocoumarin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:88.1 occ:1.00 NH2 A:ARG204 3.3 50.2 1.0 ND1 A:HIS215 3.4 55.2 1.0 NH1 A:ARG204 3.7 50.0 1.0 CZ A:ARG204 4.0 68.1 1.0 CE1 A:HIS215 4.2 54.6 1.0 CG A:HIS215 4.2 52.3 1.0 CB A:HIS215 4.4 48.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the 43K Atpase Domain of Escherichia Coli Gyrase B in Complex with An Aminocoumarin


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 the 43K Atpase Domain of Escherichia Coli Gyrase B in Complex with An Aminocoumarin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:83.3 occ:1.00 NH1 B:ARG204 3.5 50.2 1.0 NH2 B:ARG204 3.6 65.6 1.0 ND1 B:HIS215 3.7 58.7 1.0 CZ B:ARG204 4.0 71.5 1.0 CE1 B:HIS215 4.4 58.4 1.0 CG B:HIS215 4.5 55.1 1.0 CB B:HIS215 4.7 51.0 1.0

A.Vanden Broeck, A.G.Mcewen, Y.Chebaro, N.Potier, V.Lamour. Structural Basis For Dna Gyrase Interaction with Coumermycin A1. J.Med.Chem. V. 62 4225 2019.
ISSN: ISSN 0022-2623
PubMed: 30920824
DOI: 10.1021/ACS.JMEDCHEM.8B01928