Chlorine in PDB 3m07: 1.4 Angstrom Resolution Crystal Structure of Putative Alpha Amylase From Salmonella Typhimurium.

The structure of 1.4 Angstrom Resolution Crystal Structure of Putative Alpha Amylase From Salmonella Typhimurium., PDB code: 3m07 was solved by G.Minasov, L.Shuvalova, I.Dubrovska, J.Winsor, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.79 / 1.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	174.048, 51.534, 57.014, 90.00, 101.18, 90.00
R / Rfree (%)	14.8 / 17.3

The structure of 1.4 Angstrom Resolution Crystal Structure of Putative Alpha Amylase From Salmonella Typhimurium. also contains other interesting chemical elements:

Magnesium

(Mg)

6 atoms

The binding sites of Chlorine atom in the 1.4 Angstrom Resolution Crystal Structure of Putative Alpha Amylase From Salmonella Typhimurium. (pdb code 3m07). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 1.4 Angstrom Resolution Crystal Structure of Putative Alpha Amylase From Salmonella Typhimurium., PDB code: 3m07:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the 1.4 Angstrom Resolution Crystal Structure of Putative Alpha Amylase From Salmonella Typhimurium.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.4 Angstrom Resolution Crystal Structure of Putative Alpha Amylase From Salmonella Typhimurium. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:22.0 occ:1.00 O A:HOH867 2.9 25.6 1.0 O A:HOH787 3.0 22.0 1.0 O A:HOH723 3.1 16.6 1.0 N A:ILE405 3.2 17.3 1.0 OE1 A:GLN390 3.5 15.1 1.0 N A:LEU404 3.6 16.1 1.0 CB A:ILE405 3.7 18.4 1.0 CB A:LEU404 3.8 16.8 1.0 CG A:GLN390 3.8 14.3 1.0 CD A:GLN390 3.8 14.4 1.0 CG2 A:ILE405 3.9 18.1 1.0 CA A:LEU404 3.9 16.5 1.0 C A:LEU404 4.0 17.8 1.0 CA A:ILE405 4.0 18.7 1.0 CB A:ARG403 4.1 15.2 1.0 O A:HOH766 4.1 22.0 1.0 CG2 A:THR413 4.2 21.1 1.0 C A:ARG403 4.3 16.5 1.0 CG A:GLU433 4.4 17.1 1.0 OE1 A:GLU433 4.5 16.0 1.0 CA A:ARG403 4.7 14.7 1.0 CG A:LEU404 4.8 17.2 1.0 CD A:GLU433 4.8 15.4 1.0 O A:GLU437 4.8 17.5 1.0 NE2 A:GLN390 4.9 15.6 1.0 CG A:ARG403 4.9 15.1 1.0 CD A:ARG403 5.0 15.7 1.0

Chlorine binding site 2 out of 4 in the 1.4 Angstrom Resolution Crystal Structure of Putative Alpha Amylase From Salmonella Typhimurium.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.4 Angstrom Resolution Crystal Structure of Putative Alpha Amylase From Salmonella Typhimurium. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:24.1 occ:1.00 O A:HOH1035 2.9 39.9 1.0 O A:HOH659 3.0 19.0 0.5 O A:HOH864 3.1 18.1 1.0 N A:TRP110 3.2 14.5 1.0 O A:HOH999 3.2 36.1 1.0 CA A:ARG109 3.7 18.6 1.0 O A:HOH663 3.7 35.1 0.5 CE1 A:HIS292 3.9 15.0 1.0 CB A:TRP110 3.9 13.7 1.0 CB A:PRO290 3.9 17.1 1.0 C A:ARG109 3.9 15.4 1.0 CA A:TRP110 4.1 14.3 1.0 MG A:MG600 4.3 29.2 0.5 O A:HOH716 4.4 17.3 1.0 O A:HOH662 4.4 34.5 0.5 CB A:ARG109 4.4 21.0 1.0 CG A:PRO290 4.4 21.8 1.0 OE2 A:GLU111 4.5 16.4 0.5 O A:SER108 4.5 16.9 1.0 ND1 A:HIS292 4.5 15.9 1.0 CG A:ARG109 4.6 29.4 1.0 O A:HOH823 4.7 25.9 1.0 N A:ARG109 4.8 19.2 1.0 CL A:CL604 4.8 29.5 1.0 OE2 A:GLU111 4.8 18.7 0.5 NE2 A:HIS292 5.0 15.4 1.0

Chlorine binding site 3 out of 4 in the 1.4 Angstrom Resolution Crystal Structure of Putative Alpha Amylase From Salmonella Typhimurium.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.4 Angstrom Resolution Crystal Structure of Putative Alpha Amylase From Salmonella Typhimurium. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:21.0 occ:1.00 O A:HOH632 3.0 13.0 1.0 O A:HOH1114 3.2 41.4 1.0 NH2 A:ARG373 3.3 17.6 1.0 O A:HOH778 3.3 17.9 0.7 O A:HOH775 3.3 19.2 1.0 CB A:ASP322 3.5 12.8 1.0 CA A:SER298 3.5 16.1 1.0 CG A:ASP322 3.8 15.3 1.0 CB A:SER298 3.9 18.8 1.0 O A:SER298 4.0 17.1 1.0 O A:ASP297 4.1 13.5 1.0 OD2 A:ASP322 4.1 16.8 1.0 O A:HOH838 4.2 19.0 1.0 O A:HOH634 4.2 13.6 1.0 C A:SER298 4.2 16.0 1.0 OD1 A:ASP322 4.3 14.5 1.0 CZ A:ARG373 4.4 17.5 1.0 MG A:MG595 4.5 12.8 1.0 N A:SER298 4.5 15.0 1.0 CA A:ASP322 4.6 13.2 1.0 O A:HOH946 4.7 23.7 1.0 C A:ASP297 4.7 13.9 1.0 O A:HOH671 4.7 13.5 1.0 N A:ASP322 4.8 12.4 1.0 OD1 A:ASP323 4.9 14.3 1.0 NE A:ARG373 5.0 17.8 1.0

Chlorine binding site 4 out of 4 in the 1.4 Angstrom Resolution Crystal Structure of Putative Alpha Amylase From Salmonella Typhimurium.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.4 Angstrom Resolution Crystal Structure of Putative Alpha Amylase From Salmonella Typhimurium. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:29.5 occ:1.00 O A:HOH999 2.8 36.1 1.0 O A:HOH783 2.8 26.6 1.0 O A:HOH716 3.1 17.3 1.0 N A:ILE291 3.1 14.6 1.0 O A:ILE291 3.4 15.0 1.0 CA A:PRO290 3.6 15.4 1.0 NH1 A:ARG283 3.7 15.6 1.0 O A:HOH823 3.7 25.9 1.0 O A:HOH803 3.7 24.6 1.0 C A:PRO290 3.9 16.4 1.0 CB A:PRO290 3.9 17.1 1.0 C A:ILE291 3.9 13.1 1.0 CA A:ILE291 4.1 13.9 1.0 NH2 A:ARG283 4.2 15.0 1.0 CZ A:ARG283 4.2 14.4 1.0 O A:HOH864 4.4 18.1 1.0 CB A:ILE291 4.8 13.5 1.0 O A:HOH709 4.8 18.4 1.0 CL A:CL602 4.8 24.1 1.0 ND1 A:HIS292 4.9 15.9 1.0 N A:HIS292 4.9 12.8 1.0 N A:PRO290 4.9 15.3 1.0

G.Minasov, L.Shuvalova, I.Dubrovska, J.Winsor, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.4 Angstrom Resolution Crystal Structure of Putative Alpha Amylase From Salmonella Typhimurium. To Be Published.