Chlorine in PDB 4hw8: 2.25 Angstrom Structure of the Extracellular Solute-Binding Protein From Staphylococcus Aureus in Complex with Maltose.

The structure of 2.25 Angstrom Structure of the Extracellular Solute-Binding Protein From Staphylococcus Aureus in Complex with Maltose., PDB code: 4hw8 was solved by G.Minasov, L.Shuvalova, I.Dubrovska, J.Winsor, F.Bagnoli, F.Falugi, M.Bottomley, G.Grandi, W.F.Anderson, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.86 / 2.25
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	102.363, 102.363, 190.308, 90.00, 90.00, 120.00
R / Rfree (%)	16.6 / 21.5

The structure of 2.25 Angstrom Structure of the Extracellular Solute-Binding Protein From Staphylococcus Aureus in Complex with Maltose. also contains other interesting chemical elements:

Potassium

(K)

4 atoms

The binding sites of Chlorine atom in the 2.25 Angstrom Structure of the Extracellular Solute-Binding Protein From Staphylococcus Aureus in Complex with Maltose. (pdb code 4hw8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 2.25 Angstrom Structure of the Extracellular Solute-Binding Protein From Staphylococcus Aureus in Complex with Maltose., PDB code: 4hw8:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the 2.25 Angstrom Structure of the Extracellular Solute-Binding Protein From Staphylococcus Aureus in Complex with Maltose.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.25 Angstrom Structure of the Extracellular Solute-Binding Protein From Staphylococcus Aureus in Complex with Maltose. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:39.7 occ:1.00 O A:HOH676 3.0 40.0 1.0 O A:HOH611 3.1 35.5 1.0 N A:GLU171 3.2 35.5 1.0 N A:LEU170 3.4 31.6 1.0 N A:GLY295 3.6 37.8 1.0 CB A:THR169 3.7 34.4 1.0 O A:THR293 3.7 33.8 1.0 CB A:GLU171 3.7 42.0 1.0 CB A:LEU170 3.9 32.4 1.0 CA A:LEU170 4.0 31.9 1.0 CA A:ASP294 4.0 34.8 1.0 CA A:GLU171 4.0 39.1 1.0 C A:LEU170 4.0 34.2 1.0 OG1 A:THR169 4.1 37.4 1.0 C A:THR169 4.2 31.8 1.0 CA A:THR169 4.3 32.8 1.0 C A:ASP294 4.3 36.1 1.0 C A:THR293 4.4 32.3 1.0 N A:ASP294 4.6 33.5 1.0 CA A:GLY295 4.6 40.6 1.0 CG2 A:THR169 4.7 31.6 1.0 OD1 A:ASP294 4.7 34.6 1.0 CG A:GLU171 4.8 52.0 1.0 O A:HOH790 5.0 50.9 1.0

Chlorine binding site 2 out of 3 in the 2.25 Angstrom Structure of the Extracellular Solute-Binding Protein From Staphylococcus Aureus in Complex with Maltose.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.25 Angstrom Structure of the Extracellular Solute-Binding Protein From Staphylococcus Aureus in Complex with Maltose. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:79.4 occ:1.00 N A:LYS124 3.7 63.9 1.0 CB A:LYS124 4.0 67.1 1.0 NZ A:LYS124 4.1 83.5 1.0 CA A:SER123 4.4 62.9 1.0 CA A:LYS124 4.5 63.1 1.0 C A:SER123 4.5 61.9 1.0 CB A:SER123 4.9 64.2 1.0

Chlorine binding site 3 out of 3 in the 2.25 Angstrom Structure of the Extracellular Solute-Binding Protein From Staphylococcus Aureus in Complex with Maltose.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.25 Angstrom Structure of the Extracellular Solute-Binding Protein From Staphylococcus Aureus in Complex with Maltose. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:46.6 occ:1.00 O B:HOH606 2.9 32.3 1.0 N B:GLY295 3.3 50.0 1.0 N B:GLU171 3.5 39.0 1.0 N B:LEU170 3.6 36.4 1.0 O B:THR293 3.6 36.2 1.0 CB B:THR169 3.7 38.1 1.0 CB B:GLU171 3.9 42.8 1.0 CB B:LEU170 4.0 38.0 1.0 CA B:ASP294 4.1 42.7 1.0 CA B:LEU170 4.2 37.0 1.0 CA B:GLY295 4.2 53.5 1.0 C B:ASP294 4.2 47.0 1.0 C B:LEU170 4.3 37.2 1.0 CA B:GLU171 4.3 40.6 1.0 OG1 B:THR169 4.3 37.8 1.0 C B:THR169 4.4 36.1 1.0 C B:THR293 4.4 37.4 1.0 CA B:THR169 4.4 36.2 1.0 CG2 B:THR169 4.6 38.2 1.0 N B:ASP294 4.6 40.1 1.0 OE2 B:GLU171 4.7 62.4 1.0 OD1 B:ASP294 4.7 44.0 1.0 CG B:GLU171 4.8 51.2 1.0 N B:GLY296 4.9 55.2 1.0 OG1 B:THR293 4.9 34.2 1.0 CD B:GLU171 5.0 56.6 1.0

G.Minasov, L.Shuvalova, I.Dubrovska, J.Winsor, F.Bagnoli, F.Falugi, M.Bottomley, G.Grandi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.25 Angstrom Structure of the Extracellular Solute-Binding Protein From Staphylococcus Aureus in Complex with Maltose. To Be Published.