Chlorine in PDB 5ww9: Crystal Structure of R73E Mutant of the Second Dna-Binding Protein Under Starvation From Mycobacterium Smegmatis

The structure of Crystal Structure of R73E Mutant of the Second Dna-Binding Protein Under Starvation From Mycobacterium Smegmatis, PDB code: 5ww9 was solved by S.M.Williams, D.Chatterji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.00
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	90.950, 90.950, 421.065, 90.00, 90.00, 120.00
R / Rfree (%)	18.2 / 22.4

The structure of Crystal Structure of R73E Mutant of the Second Dna-Binding Protein Under Starvation From Mycobacterium Smegmatis also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Iron	(Fe)	4 atoms

The binding sites of Chlorine atom in the Crystal Structure of R73E Mutant of the Second Dna-Binding Protein Under Starvation From Mycobacterium Smegmatis (pdb code 5ww9). 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 R73E Mutant of the Second Dna-Binding Protein Under Starvation From Mycobacterium Smegmatis, PDB code: 5ww9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of R73E Mutant of the Second Dna-Binding Protein Under Starvation From Mycobacterium Smegmatis


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 R73E Mutant of the Second Dna-Binding Protein Under Starvation From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:14.4 occ:0.33 O A:HOH305 2.1 8.1 0.3 O A:HOH367 3.2 19.9 1.0 NH2 A:ARG50 3.5 6.1 1.0 CD1 A:LEU54 3.9 6.6 1.0 OD1 A:ASP51 4.2 6.3 1.0 CZ A:ARG50 4.5 6.1 1.0 NH1 A:ARG50 4.8 6.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of R73E Mutant of the Second Dna-Binding Protein Under Starvation From Mycobacterium Smegmatis


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 R73E Mutant of the Second Dna-Binding Protein Under Starvation From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:12.3 occ:1.00 O C:HOH301 2.7 3.7 1.0 NH1 C:ARG50 3.4 9.1 1.0 NH1 B:ARG50 3.4 8.2 1.0 O B:HOH386 3.6 17.1 1.0 CD1 B:LEU54 3.9 7.5 1.0 CD1 C:LEU54 4.0 9.3 1.0 OD1 B:ASP51 4.2 8.0 1.0 OD1 C:ASP51 4.2 8.7 1.0 CZ B:ARG50 4.4 8.3 1.0 CZ C:ARG50 4.5 9.1 1.0 NH2 B:ARG50 4.6 8.6 1.0 NH2 C:ARG50 4.7 9.4 1.0

S.M.Williams, D.Chatterji. Flexible Aspartates Propel Iron to the Ferroxidation Sites Along Pathways Stabilized By A Conserved Arginine in Dps Proteins From Mycobacterium Smegmatis Metallomics V. 9 685 2017.
ISSN: ESSN 1756-591X
PubMed: 28418062
DOI: 10.1039/C7MT00008A