Magnesium 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:

Chlorine

(Cl)

4 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total 6 binding sites of Magnesium where determined in the 1.4 Angstrom Resolution Crystal Structure of Putative Alpha Amylase From Salmonella Typhimurium., PDB code: 3m07:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 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 Magnesium with other atoms in the Mg 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:Mg595 b:12.8 occ:1.00 OE2 A:GLU319 2.0 11.9 1.0 O A:TRP320 2.1 13.3 1.0 O A:HOH634 2.1 13.6 1.0 O A:HOH633 2.1 12.8 1.0 O A:HOH632 2.1 13.0 1.0 O A:ASP297 2.1 13.5 1.0 CD A:GLU319 3.1 12.6 1.0 C A:ASP297 3.3 13.9 1.0 C A:TRP320 3.3 12.3 1.0 CG A:GLU319 3.6 13.8 1.0 N A:ASP297 3.6 12.5 1.0 CA A:ASP297 3.9 13.5 1.0 OD1 A:ASP322 4.1 14.5 1.0 CA A:TRP320 4.1 12.1 1.0 O A:HOH778 4.1 17.9 0.7 OE1 A:GLU319 4.2 12.8 1.0 CB A:ASP297 4.2 13.8 1.0 N A:TRP320 4.3 11.9 1.0 O A:HOH671 4.3 13.5 1.0 CB A:TRP320 4.3 13.5 1.0 O A:HOH691 4.3 13.3 1.0 N A:ASN321 4.3 12.1 1.0 N A:SER298 4.3 15.0 1.0 OD1 A:ASN300 4.4 13.7 1.0 N A:ASP322 4.4 12.4 1.0 CL A:CL603 4.5 21.0 1.0 CA A:ASN321 4.5 12.3 1.0 CA A:SER298 4.6 16.1 1.0 C A:GLU296 4.7 12.9 0.4 C A:GLU296 4.7 13.4 0.6 C A:GLU319 4.9 11.9 1.0 OE1 A:GLU296 4.9 17.8 0.4 CA A:GLU296 4.9 13.5 0.4 CG A:ASP322 4.9 15.3 1.0 CA A:GLU296 5.0 13.3 0.6 CB A:GLU319 5.0 13.5 1.0

Magnesium binding site 2 out of 6 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 Magnesium with other atoms in the Mg 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:Mg596 b:23.6 occ:1.00 O A:HOH638 2.0 25.8 1.0 O A:HOH635 2.1 25.2 1.0 OE1 A:GLU371 2.1 21.3 1.0 O A:HOH636 2.1 23.6 1.0 O A:HOH639 2.1 21.1 1.0 O A:HOH637 2.3 28.4 1.0 CD A:GLU371 3.0 21.9 1.0 OE2 A:GLU371 3.3 24.2 1.0 O A:GLY370 4.2 19.7 1.0 O A:HOH856 4.3 27.5 1.0 O A:HOH877 4.3 35.0 1.0 CG A:GLU371 4.4 19.0 1.0 CD A:PRO372 4.5 17.3 1.0 CA A:GLU371 4.6 16.2 1.0 CB A:GLU371 4.8 17.0 1.0

Magnesium binding site 3 out of 6 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 Magnesium with other atoms in the Mg 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:Mg597 b:20.2 occ:1.00 O A:HOH641 2.0 22.7 1.0 O A:HOH642 2.1 25.2 1.0 O A:HOH644 2.1 24.7 1.0 O A:HOH643 2.1 18.2 1.0 O A:HOH640 2.1 23.1 1.0 O A:HOH645 2.1 20.2 1.0 O6 A:BTB605 4.1 28.2 0.7 OE1 A:GLU296 4.1 17.8 0.4 OE2 A:GLU296 4.1 20.4 0.4 OD1 A:ASP264 4.2 23.0 1.0 OD2 A:ASP264 4.2 21.0 1.0 O A:HOH778 4.2 17.9 0.7 O A:HOH946 4.3 23.7 1.0 CD A:GLU296 4.5 19.9 0.4 O A:HOH1047 4.5 31.1 0.4 OE2 A:GLU296 4.6 17.9 0.6 CG A:ASP264 4.7 19.0 1.0 CB A:ALA262 4.7 15.0 1.0 CD A:GLU296 4.7 14.0 0.6 OE1 A:GLU296 4.7 15.1 0.6 O3 A:BTB605 4.8 20.9 0.7 CB A:SER298 4.8 18.8 1.0

Magnesium binding site 4 out of 6 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 Magnesium with other atoms in the Mg 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:Mg598 b:27.3 occ:0.50 O A:HOH646 1.9 21.4 0.5 O A:HOH648 2.0 22.0 0.5 O A:HOH649 2.1 28.2 0.5 O A:HOH651 2.1 22.9 0.5 O A:HOH650 2.2 29.0 0.5 O A:HOH647 2.3 25.6 0.5 O A:HOH884 4.0 29.1 1.0 O A:HOH1168 4.0 39.4 1.0 O A:HOH1072 4.3 45.6 1.0 O A:HOH740 4.3 21.4 1.0 O A:HOH781 4.3 24.5 1.0 O A:HOH807 4.4 25.2 1.0 O A:HOH1073 4.4 36.2 1.0 CD A:GLN510 4.8 13.9 0.3 CG A:GLN510 4.8 16.2 0.3 CG2 A:THR145 4.8 15.8 1.0 NE2 A:GLN510 4.8 17.9 0.3 CG A:GLN510 4.8 19.4 0.7

Magnesium binding site 5 out of 6 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 Magnesium with other atoms in the Mg binding site number 5 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:Mg599 b:34.1 occ:1.00 O A:HOH655 1.9 47.6 1.0 O A:HOH652 2.0 33.4 1.0 O A:HOH653 2.1 39.6 1.0 O A:HOH656 2.1 36.7 1.0 O A:HOH657 2.1 34.4 1.0 O A:HOH654 2.3 38.6 1.0 OD2 A:ASP94 4.2 25.1 1.0 O2 A:PGE608 4.3 45.9 1.0 OD1 A:ASP94 4.3 20.8 1.0 O A:GLY96 4.4 22.8 1.0 O A:HOH628 4.5 34.7 0.5 O1 A:PGE608 4.5 49.3 1.0 C A:GLY96 4.6 19.7 1.0 C5 A:PGE608 4.6 49.8 1.0 CA A:GLY96 4.6 19.8 1.0 CG A:ASP94 4.7 19.9 1.0 O A:HOH627 4.8 36.6 0.5 O3 A:PGE608 4.9 46.9 1.0 C4 A:PGE608 4.9 46.3 1.0

Magnesium binding site 6 out of 6 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 Magnesium with other atoms in the Mg binding site number 6 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:Mg600 b:29.2 occ:0.50 O A:HOH660 1.9 27.6 0.5 O A:HOH661 2.0 38.1 0.5 O A:HOH662 2.0 34.5 0.5 O A:HOH659 2.1 19.0 0.5 O A:HOH663 2.3 35.1 0.5 O A:HOH658 2.5 40.1 0.5 OE1 A:GLU111 4.1 22.9 0.5 OD1 A:ASN312 4.2 42.2 1.0 CL A:CL602 4.3 24.1 1.0 OE2 A:GLU111 4.3 16.4 0.5 O A:GLY311 4.3 29.1 1.0 O A:HOH1035 4.6 39.9 1.0 OE2 A:GLU111 4.6 18.7 0.5 CD A:GLU111 4.7 16.8 0.5 C A:GLY311 4.7 29.5 1.0 O A:HOH864 4.7 18.1 1.0 O A:HOH823 4.9 25.9 1.0 O A:ASP310 4.9 36.8 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.