Chlorine in PDB 5o58: Structure of the Inactive T.Maritima Pde (TM1595) D80N D154N Mutant with Substrate 5'-Papg

The structure of Structure of the Inactive T.Maritima Pde (TM1595) D80N D154N Mutant with Substrate 5'-Papg, PDB code: 5o58 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)	50.33 / 1.55
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	70.370, 88.340, 124.270, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 18.4

The binding sites of Chlorine atom in the Structure of the Inactive T.Maritima Pde (TM1595) D80N D154N Mutant with Substrate 5'-Papg (pdb code 5o58). 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'-Papg, PDB code: 5o58:
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'-Papg


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'-Papg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl424 b:29.4 occ:0.76 C3 A:IPA420 3.3 55.4 1.0 NE A:ARG267 3.3 24.3 1.0 N A:GLY240 3.3 21.1 1.0 CA A:GLY240 3.6 20.9 1.0 NH2 A:ARG267 3.6 25.1 1.0 C8 B:G2 3.7 29.9 1.0 CG1 A:VAL239 3.7 22.5 1.0 CA A:GLY237 3.7 26.1 1.0 CZ A:ARG267 3.9 26.1 1.0 O A:GLY237 4.0 23.9 1.0 C2 A:IPA420 4.1 59.1 1.0 C A:GLY237 4.1 24.7 1.0 O A:HOH678 4.2 39.1 1.0 O A:HOH614 4.2 40.7 1.0 CD A:ARG267 4.3 21.0 1.0 C A:VAL239 4.4 22.1 1.0 N A:GLY237 4.4 23.7 1.0 N7 B:G2 4.5 33.0 1.0 CG A:ARG267 4.5 20.9 1.0 O A:HOH576 4.6 33.5 1.0 N9 B:G2 4.7 35.0 1.0 N A:VAL239 4.7 21.9 1.0 C1 A:IPA420 4.8 56.7 1.0 C1' B:G2 4.9 29.7 1.0 CA A:VAL239 4.9 19.4 1.0 CB A:VAL239 4.9 22.3 1.0 C A:GLY240 5.0 21.8 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'-Papg


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'-Papg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl425 b:33.7 occ:0.64 OG A:SER161 2.5 34.4 0.5 O B:HOH110 2.8 41.5 1.0 N1 B:G2 3.0 29.9 1.0 O A:HOH669 3.1 31.5 1.0 N2 B:G2 3.2 33.0 1.0 N A:ASN162 3.3 26.3 1.0 C2 B:G2 3.6 32.9 1.0 N A:SER161 3.6 23.5 1.0 CB A:SER161 3.6 31.2 0.5 CG A:ASN162 3.6 28.0 1.0 CB A:ASN162 3.7 26.3 1.0 CB A:SER161 3.7 31.6 0.5 C A:SER161 3.9 27.8 1.0 CA A:SER161 3.9 27.1 0.5 CA A:SER161 3.9 26.5 0.5 OD1 A:ASN162 3.9 31.3 1.0 O B:HOH101 4.0 30.8 1.0 ND2 A:ASN162 4.0 26.4 1.0 CA A:ASN162 4.0 25.8 1.0 C6 B:G2 4.1 30.3 1.0 CB A:HIS160 4.1 22.4 1.0 O6 B:G2 4.2 31.8 1.0 OG A:SER161 4.4 31.4 0.5 C A:HIS160 4.5 26.9 1.0 O A:HOH697 4.5 43.3 1.0 O A:HOH700 4.7 57.7 1.0 CB A:ARG288 4.7 25.5 1.0 O A:SER161 4.9 30.0 1.0 N3 B:G2 4.9 32.3 1.0 CA A:HIS160 4.9 24.7 1.0 CG A:ARG288 5.0 29.2 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