Chlorine in PDB 5o6i: Structures and Dynamics of Mesophilic Variants From the Homing Endonuclease I-Dmoi

The structure of Structures and Dynamics of Mesophilic Variants From the Homing Endonuclease I-Dmoi, PDB code: 5o6i was solved by R.Molina, M.J.Marcaida, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.14 / 2.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	107.000, 70.480, 107.320, 90.00, 119.81, 90.00
R / Rfree (%)	19.6 / 22.8

The structure of Structures and Dynamics of Mesophilic Variants From the Homing Endonuclease I-Dmoi also contains other interesting chemical elements:

Manganese

(Mn)

6 atoms

The binding sites of Chlorine atom in the Structures and Dynamics of Mesophilic Variants From the Homing Endonuclease I-Dmoi (pdb code 5o6i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structures and Dynamics of Mesophilic Variants From the Homing Endonuclease I-Dmoi, PDB code: 5o6i:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structures and Dynamics of Mesophilic Variants From the Homing Endonuclease I-Dmoi


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structures and Dynamics of Mesophilic Variants From the Homing Endonuclease I-Dmoi within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:47.4 occ:0.00 CE A:LYS43 3.5 57.1 1.0 CD A:LYS43 3.8 49.7 1.0 CE2 A:TYR78 4.2 58.2 1.0 O A:LYS43 4.3 38.6 1.0 O A:THR76 4.4 42.0 1.0 C A:THR76 4.5 43.5 1.0 CD2 A:TYR78 4.5 47.0 1.0 CG A:LYS43 4.5 40.9 1.0 N A:ARG77 4.6 35.6 1.0 CA A:ARG77 4.7 33.7 1.0 NZ A:LYS43 4.8 52.9 1.0 O A:ASP75 4.9 53.7 1.0

Chlorine binding site 2 out of 2 in the Structures and Dynamics of Mesophilic Variants From the Homing Endonuclease I-Dmoi


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structures and Dynamics of Mesophilic Variants From the Homing Endonuclease I-Dmoi within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl101 b:48.7 occ:0.00 O2 G:DT16 3.1 50.4 1.0 O G:HOH215 3.3 67.7 1.0 O4' G:DT17 3.8 49.2 1.0 C2 G:DT16 4.2 43.3 1.0 C1' G:DT16 4.2 42.8 1.0 O G:HOH216 4.3 59.3 1.0 C4' G:DT17 4.3 46.9 1.0 N2 G:DG15 4.3 43.1 1.0 O2 I:DC11 4.3 58.9 1.0 C5' G:DT17 4.4 42.4 1.0 O4' G:DT16 4.7 39.5 1.0 N1 G:DT16 4.7 39.6 1.0

J.Alba, M.J.Marcaida, J.Prieto, G.Montoya, R.Molina, M.D'abramo. Structure and Dynamics of Mesophilic Variants From the Homing Endonuclease I-Dmoi. J. Comput. Aided Mol. Des. V. 31 1063 2017.
ISSN: ESSN 1573-4951
PubMed: 29177929
DOI: 10.1007/S10822-017-0087-5