Magnesium in PDB 3ren: CPF_2247, A Novel Alpha-Amylase From Clostridium Perfringens

The structure of CPF_2247, A Novel Alpha-Amylase From Clostridium Perfringens, PDB code: 3ren was solved by E.Ficko-Blean, C.P.Stuart, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.350, 75.060, 158.540, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 22.4

The binding sites of Magnesium atom in the CPF_2247, A Novel Alpha-Amylase From Clostridium Perfringens (pdb code 3ren). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the CPF_2247, A Novel Alpha-Amylase From Clostridium Perfringens, PDB code: 3ren:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the CPF_2247, A Novel Alpha-Amylase From Clostridium Perfringens


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of CPF_2247, A Novel Alpha-Amylase From Clostridium Perfringens within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1 b:11.1 occ:1.00 O A:HOH687 1.9 17.0 1.0 O A:HOH745 2.0 21.5 1.0 O A:HOH690 2.0 25.2 1.0 O A:HOH691 2.0 20.8 1.0 O A:HOH689 2.0 22.9 1.0 O A:HOH688 2.0 26.4 1.0 OXT A:ASP371 3.7 31.1 1.0 O A:GLY39 3.8 18.1 1.0 O A:ARG38 4.0 19.7 1.0 O A:ASP371 4.1 30.9 1.0 OE2 A:GLU43 4.2 24.8 1.0 C A:ASP371 4.3 30.7 1.0 OE1 A:GLU43 4.3 18.4 1.0 C A:GLY39 4.4 17.7 1.0 OH A:TYR369 4.6 25.8 1.0 O A:HOH411 4.6 31.2 1.0 CD A:GLU43 4.7 21.9 1.0 N A:SER40 5.0 16.8 1.0

Magnesium binding site 2 out of 3 in the CPF_2247, A Novel Alpha-Amylase From Clostridium Perfringens


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of CPF_2247, A Novel Alpha-Amylase From Clostridium Perfringens within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg372 b:7.8 occ:1.00 OD2 A:ASP54 2.0 16.8 1.0 O A:HOH692 2.0 17.3 1.0 O A:HOH693 2.0 22.9 1.0 O A:HOH904 2.1 35.2 1.0 O A:HOH694 2.1 29.8 1.0 O A:HOH695 2.1 15.9 1.0 CG A:ASP54 2.9 14.1 1.0 OD1 A:ASP54 3.3 14.6 1.0 O A:VAL341 3.9 19.9 1.0 CB A:ASP54 4.3 13.5 1.0 O A:TYR343 4.3 16.6 1.0 O A:HOH447 4.4 16.1 1.0 O A:HOH717 4.4 23.1 1.0 O A:HOH889 4.5 33.8 1.0 CD1 A:PHE50 4.6 12.0 1.0 CA A:PHE50 4.6 12.6 1.0 CB A:LYS53 4.8 15.2 1.0 O A:HOH898 4.8 38.5 1.0 C A:VAL341 4.9 20.2 1.0 O A:ASP49 4.9 13.3 1.0

Magnesium binding site 3 out of 3 in the CPF_2247, A Novel Alpha-Amylase From Clostridium Perfringens


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of CPF_2247, A Novel Alpha-Amylase From Clostridium Perfringens within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1 b:5.3 occ:1.00 O B:HOH685 2.0 17.3 1.0 O B:HOH686 2.1 16.8 1.0 OD2 B:ASP54 2.1 14.1 1.0 O B:HOH683 2.1 14.1 1.0 O B:HOH684 2.1 13.1 1.0 O B:HOH682 2.1 13.0 1.0 CG B:ASP54 3.0 17.3 1.0 OD1 B:ASP54 3.2 17.6 1.0 O B:VAL341 3.9 17.1 1.0 O B:HOH701 4.3 15.3 1.0 O B:HOH716 4.4 23.5 1.0 CB B:ASP54 4.4 16.4 1.0 O B:TYR343 4.5 15.4 1.0 O B:HOH422 4.5 15.1 1.0 O B:HOH700 4.5 14.9 1.0 CA B:PHE50 4.7 13.7 1.0 CD1 B:PHE50 4.7 11.7 1.0 CB B:LYS53 4.8 17.4 1.0 C B:VAL341 5.0 17.1 1.0 O B:ASP49 5.0 14.8 1.0

E.Ficko-Blean, C.P.Stuart, A.B.Boraston. Structural Analysis of CPF_2247, A Novel Alpha-Amylase From Clostridium Perfringens. Proteins V. 79 2771 2011.
ISSN: ISSN 0887-3585
PubMed: 21905105
DOI: 10.1002/PROT.23116