Chlorine in PDB 1awb: Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium

All present enzymatic activity of Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium:
3.1.3.25;

The structure of Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium, PDB code: 1awb was solved by J.-M.Rondeau, P.D.Pelton, P.Vincendon, A.J.Ganzhorn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.50
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	86.370, 86.370, 153.795, 90.00, 90.00, 120.00
R / Rfree (%)	15.3 / 18.9

The structure of Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium also contains other interesting chemical elements:

Calcium

(Ca)

6 atoms

The binding sites of Chlorine atom in the Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium (pdb code 1awb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium, PDB code: 1awb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl280 b:46.8 occ:1.00 O B:HOH330 3.0 19.6 1.0 NH2 A:ARG191 3.1 2.1 1.0 O A:HIS188 3.3 5.6 1.0 NH1 A:ARG191 3.5 2.0 1.0 O B:HOH400 3.7 51.0 1.0 CZ A:ARG191 3.7 2.0 1.0 O B:HOH324 3.8 23.0 1.0 O A:HOH285 3.9 1.8 1.0 OG1 B:THR96 3.9 6.8 1.0 CB B:THR96 4.1 5.3 1.0 CA A:GLY189 4.1 4.0 1.0 CG2 B:THR96 4.2 7.0 1.0 O B:HOH288 4.3 5.5 1.0 C A:HIS188 4.3 6.6 1.0 O B:HOH290 4.6 6.1 1.0 O B:HOH309 4.7 16.7 1.0 N A:GLY189 4.7 5.5 1.0 O B:GLY164 5.0 11.0 1.0

Chlorine binding site 2 out of 2 in the Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl281 b:30.9 occ:1.00 O A:HOH292 2.6 6.1 1.0 O A:HOH359 2.7 28.6 1.0 N B:ILE190 2.8 9.6 1.0 NH1 B:ARG191 3.0 2.3 1.0 O B:ILE190 3.1 5.0 1.0 CA B:GLY189 3.4 7.4 1.0 C B:GLY189 3.5 8.8 1.0 CA B:ILE190 3.7 7.9 1.0 CE1 B:PHE183 3.8 11.1 1.0 C B:ILE190 3.8 10.3 1.0 O B:HOH286 3.9 26.8 1.0 O A:HOH333 3.9 16.9 1.0 CB A:LEU163 4.0 10.3 1.0 CB B:ILE190 4.2 8.4 1.0 CZ B:ARG191 4.3 3.4 1.0 OE1 A:GLU162 4.5 8.7 1.0 N A:LEU163 4.5 10.1 1.0 CZ B:PHE183 4.5 8.6 1.0 CD2 A:LEU163 4.5 7.5 1.0 CD1 B:PHE183 4.6 10.3 1.0 O B:GLY189 4.7 8.9 1.0 N B:GLY189 4.8 8.6 1.0 CA A:LEU163 4.8 10.3 1.0 CG A:LEU163 4.9 10.5 1.0 NH2 B:ARG191 4.9 2.0 1.0 O B:HIS188 5.0 11.2 1.0 CG1 B:ILE190 5.0 4.5 1.0

A.J.Ganzhorn, J.-M.Rondeau. Structure of An Enzyme-Substrate Complex and the Catalytic Mechanism of Human Brain Myo-Inositol Monophosphatase Protein Eng. V. 10 61 1997.
ISSN: ISSN 0269-2139