Chlorine in PDB 1t6d: Miras Phasing of the Aquifex Aeolicus Ppx/Gppa Phosphatase: Crystal Structure of the Type II Variant

All present enzymatic activity of Miras Phasing of the Aquifex Aeolicus Ppx/Gppa Phosphatase: Crystal Structure of the Type II Variant:
3.6.1.11; 3.6.1.40;

The structure of Miras Phasing of the Aquifex Aeolicus Ppx/Gppa Phosphatase: Crystal Structure of the Type II Variant, PDB code: 1t6d was solved by O.Kristensen, M.Laurberg, A.Liljas, J.S.Kastrup, M.Gajhede, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.06 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.461, 83.565, 69.764, 90.00, 97.39, 90.00
R / Rfree (%)	20.6 / 25.5

The binding sites of Chlorine atom in the Miras Phasing of the Aquifex Aeolicus Ppx/Gppa Phosphatase: Crystal Structure of the Type II Variant (pdb code 1t6d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Miras Phasing of the Aquifex Aeolicus Ppx/Gppa Phosphatase: Crystal Structure of the Type II Variant, PDB code: 1t6d:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Miras Phasing of the Aquifex Aeolicus Ppx/Gppa Phosphatase: Crystal Structure of the Type II Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Miras Phasing of the Aquifex Aeolicus Ppx/Gppa Phosphatase: Crystal Structure of the Type II Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:25.4 occ:1.00 NE2 A:GLN142 3.1 28.1 1.0 N A:GLY145 3.2 28.8 1.0 O A:HOH612 3.3 28.5 1.0 N A:ILE167 3.5 29.4 1.0 O A:HOH606 3.5 22.9 1.0 CA A:GLY143 3.6 27.1 1.0 CA A:GLY166 3.6 31.8 1.0 C A:GLY143 3.6 28.3 1.0 CA A:GLY145 3.6 28.2 1.0 N A:GLY143 3.7 25.9 1.0 N A:SER146 3.8 26.5 1.0 N A:GLY144 3.8 29.5 1.0 CG1 A:ILE167 3.9 29.5 1.0 C A:GLY145 4.0 28.2 1.0 C A:GLY166 4.1 31.3 1.0 O A:HOH737 4.1 45.1 1.0 CD A:GLN142 4.1 26.5 1.0 O A:SER146 4.2 24.1 1.0 O A:GLY143 4.2 26.6 1.0 CG2 A:ILE167 4.2 27.2 1.0 C A:GLY144 4.3 30.0 1.0 CG A:GLN142 4.3 25.4 1.0 CB A:ILE167 4.4 27.0 1.0 CD1 A:ILE167 4.5 33.2 1.0 CA A:ILE167 4.5 28.2 1.0 CA A:GLY144 4.6 30.3 1.0 C A:GLN142 4.7 25.7 1.0 CA A:SER146 4.7 26.3 1.0 N A:GLY166 4.7 33.7 1.0 C A:SER146 4.7 25.1 1.0 O A:GLY145 4.9 27.5 1.0 O A:ILE165 5.0 36.7 1.0

Chlorine binding site 2 out of 2 in the Miras Phasing of the Aquifex Aeolicus Ppx/Gppa Phosphatase: Crystal Structure of the Type II Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Miras Phasing of the Aquifex Aeolicus Ppx/Gppa Phosphatase: Crystal Structure of the Type II Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:22.5 occ:1.00 O B:HOH527 3.1 22.9 1.0 N B:GLY145 3.2 26.7 1.0 NE2 B:GLN142 3.2 27.7 1.0 O B:HOH555 3.3 29.5 1.0 N B:ILE167 3.5 22.0 1.0 C B:GLY143 3.5 25.5 1.0 CA B:GLY143 3.6 24.6 1.0 N B:SER146 3.6 24.4 1.0 N B:GLY143 3.7 23.2 1.0 CA B:GLY145 3.7 26.0 1.0 N B:GLY144 3.7 27.5 1.0 CA B:GLY166 3.7 24.4 1.0 O B:GLY143 3.8 23.5 1.0 CG1 B:ILE167 3.9 20.3 1.0 C B:GLY145 3.9 27.3 1.0 O B:SER146 4.1 19.1 1.0 C B:GLY166 4.1 23.2 1.0 C B:GLY144 4.2 28.6 1.0 CD B:GLN142 4.3 28.5 1.0 CG2 B:ILE167 4.3 18.5 1.0 CG B:GLN142 4.4 25.4 1.0 CA B:GLY144 4.5 28.2 1.0 CB B:ILE167 4.5 21.9 1.0 CA B:ILE167 4.5 21.9 1.0 CA B:SER146 4.6 23.0 1.0 O B:HOH552 4.6 36.5 1.0 C B:SER146 4.6 22.6 1.0 O B:HOH647 4.6 47.1 1.0 C B:GLN142 4.7 22.6 1.0 CD1 B:ILE167 4.7 18.5 1.0 N B:GLY166 4.8 25.5 1.0 O B:GLY145 4.9 26.4 1.0 O B:ILE165 4.9 26.8 1.0

O.Kristensen, M.Laurberg, A.Liljas, J.S.Kastrup, M.Gajhede. Structural Characterization of the Stringent Response Related Exopolyphosphatase/Guanosine Pentaphosphate Phosphohydrolase Protein Family Biochemistry V. 43 8894 2004.
ISSN: ISSN 0006-2960
PubMed: 15248747
DOI: 10.1021/BI049083C