Chlorine in PDB 5o4z: Structure of the Inactive T.Maritima Pde (TM1595) D80N D154N Mutant with Substrate 5'-Papa

The structure of Structure of the Inactive T.Maritima Pde (TM1595) D80N D154N Mutant with Substrate 5'-Papa, PDB code: 5o4z was solved by G.Witte, D.Drexler, M.Mueller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.92 / 1.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	71.670, 87.830, 122.430, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 19.6

The binding sites of Chlorine atom in the Structure of the Inactive T.Maritima Pde (TM1595) D80N D154N Mutant with Substrate 5'-Papa (pdb code 5o4z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of the Inactive T.Maritima Pde (TM1595) D80N D154N Mutant with Substrate 5'-Papa, PDB code: 5o4z:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of the Inactive T.Maritima Pde (TM1595) D80N D154N Mutant with Substrate 5'-Papa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Inactive T.Maritima Pde (TM1595) D80N D154N Mutant with Substrate 5'-Papa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl411 b:72.7 occ:1.00 N A:TYR61 3.2 32.0 1.0 O A:HOH727 3.4 56.9 1.0 CA A:PRO60 3.8 30.7 1.0 O A:HOH654 3.9 44.1 1.0 O A:HOH513 4.0 47.2 1.0 C A:PRO60 4.0 29.2 1.0 CA A:TYR61 4.0 32.1 1.0 CD1 A:TYR61 4.2 41.0 1.0 CB A:PRO60 4.2 34.6 1.0 CG A:TYR61 4.4 35.5 1.0 O A:HOH719 4.4 58.9 1.0 CE1 A:TYR61 4.4 46.1 1.0 CD2 A:TYR61 4.7 35.2 1.0 CZ A:TYR61 4.7 48.1 1.0 CB A:TYR61 4.9 33.7 1.0 CE2 A:TYR61 4.9 41.6 1.0

Chlorine binding site 2 out of 2 in the Structure of the Inactive T.Maritima Pde (TM1595) D80N D154N Mutant with Substrate 5'-Papa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Inactive T.Maritima Pde (TM1595) D80N D154N Mutant with Substrate 5'-Papa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl412 b:73.2 occ:1.00 O A:HOH599 3.5 38.8 1.0 ND1 A:HIS286 3.8 36.8 1.0 OG A:SER106 3.9 41.5 1.0 CD A:PRO287 4.1 33.0 1.0 O A:GLY285 4.4 35.4 1.0 CA A:HIS286 4.4 31.4 1.0 CB A:SER106 4.5 37.0 1.0 O A:HOH608 4.5 40.5 1.0 CB A:PRO119 4.5 36.1 1.0 CB A:HIS286 4.6 28.1 1.0 CG A:HIS286 4.7 32.7 1.0 CE1 A:HIS286 4.7 38.1 1.0 O A:HOH710 4.9 43.0 1.0

D.J.Drexler, M.Muller, C.A.Rojas-Cordova, A.M.Bandera, G.Witte. Structural and Biophysical Analysis of the Soluble Dhh/DHHA1-Type Phosphodiesterase TM1595 From Thermotoga Maritima. Structure V. 25 1887 2017.
ISSN: ISSN 1878-4186
PubMed: 29107484
DOI: 10.1016/J.STR.2017.10.001