Magnesium in PDB 3p4g: X-Ray Crystal Structure of A Hyperactive, CA2+-Dependent, Beta-Helical Antifreeze Protein From An Antarctic Bacterium

The structure of X-Ray Crystal Structure of A Hyperactive, CA2+-Dependent, Beta-Helical Antifreeze Protein From An Antarctic Bacterium, PDB code: 3p4g was solved by C.P.Garnham, R.L.Campbell, P.L.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.60 / 1.70
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	57.500, 70.780, 84.250, 99.06, 92.30, 97.47
R / Rfree (%)	16.4 / 20

The structure of X-Ray Crystal Structure of A Hyperactive, CA2+-Dependent, Beta-Helical Antifreeze Protein From An Antarctic Bacterium also contains other interesting chemical elements:

Calcium

(Ca)

52 atoms

The binding sites of Magnesium atom in the X-Ray Crystal Structure of A Hyperactive, CA2+-Dependent, Beta-Helical Antifreeze Protein From An Antarctic Bacterium (pdb code 3p4g). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the X-Ray Crystal Structure of A Hyperactive, CA2+-Dependent, Beta-Helical Antifreeze Protein From An Antarctic Bacterium, PDB code: 3p4g:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the X-Ray Crystal Structure of A Hyperactive, CA2+-Dependent, Beta-Helical Antifreeze Protein From An Antarctic Bacterium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Crystal Structure of A Hyperactive, CA2+-Dependent, Beta-Helical Antifreeze Protein From An Antarctic Bacterium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg324 b:13.9 occ:1.00 O C:HOH1655 2.0 21.4 1.0 O A:HOH1657 2.0 19.0 1.0 OD2 A:ASP139 2.0 6.2 0.5 O C:HOH1658 2.0 21.2 1.0 O A:HOH1661 2.1 14.1 1.0 OE2 C:GLU104 2.2 11.8 0.5 OD2 A:ASP139 2.9 12.7 0.5 CG A:ASP139 3.0 6.8 0.5 CD C:GLU104 3.2 8.9 0.5 CG A:ASP139 3.2 9.7 0.5 OD1 A:ASP139 3.3 12.6 0.5 OD1 A:ASP139 3.3 6.0 0.5 OE1 C:GLU104 3.6 7.5 0.5 OE2 C:GLU104 3.9 11.3 0.5 OE2 C:GLU123 3.9 20.7 0.5 O A:HOH1662 4.2 30.6 1.0 CG C:GLU104 4.3 11.2 0.5 ND2 A:ASN121 4.3 12.2 1.0 CB A:ASP139 4.3 7.2 0.5 CB A:ASP139 4.3 6.2 0.5 O A:HOH707 4.3 17.9 1.0 CA A:GLY120 4.4 8.0 1.0 CD C:GLU104 4.4 15.2 0.5 CG C:GLU104 4.4 8.5 0.5 OE1 C:GLU123 4.4 16.7 0.5 CD C:GLU123 4.5 14.0 0.5 N A:GLY120 4.6 8.3 1.0 NE2 C:GLN85 4.9 13.4 1.0 OD1 A:ASN102 5.0 10.9 1.0

Magnesium binding site 2 out of 4 in the X-Ray Crystal Structure of A Hyperactive, CA2+-Dependent, Beta-Helical Antifreeze Protein From An Antarctic Bacterium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of X-Ray Crystal Structure of A Hyperactive, CA2+-Dependent, Beta-Helical Antifreeze Protein From An Antarctic Bacterium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg325 b:13.1 occ:1.00 OD2 A:ASP148 2.0 17.2 1.0 O A:HOH1672 2.0 22.6 1.0 O A:HOH1670 2.0 10.8 1.0 O A:HOH1669 2.1 18.3 1.0 O A:HOH1671 2.1 9.0 1.0 O A:HOH1668 2.1 18.2 1.0 CG A:ASP148 3.0 13.5 1.0 OD1 A:ASP148 3.3 14.5 1.0 O A:HOH538 3.5 16.3 1.0 O A:HOH478 3.7 20.1 1.0 CB A:ASP148 4.3 8.3 1.0 O A:HOH455 4.4 16.2 1.0 OD2 A:ASP167 4.7 16.3 1.0 ND2 A:ASN129 4.8 8.3 1.0

Magnesium binding site 3 out of 4 in the X-Ray Crystal Structure of A Hyperactive, CA2+-Dependent, Beta-Helical Antifreeze Protein From An Antarctic Bacterium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of X-Ray Crystal Structure of A Hyperactive, CA2+-Dependent, Beta-Helical Antifreeze Protein From An Antarctic Bacterium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg326 b:23.3 occ:1.00 O A:HOH1673 2.0 13.5 1.0 OD2 A:ASP167 2.1 16.3 1.0 O A:HOH1674 2.1 11.8 1.0 O A:HOH1572 2.3 20.0 1.0 O A:HOH1551 2.3 10.7 1.0 CG A:ASP167 2.9 14.2 1.0 OD1 A:ASP167 3.1 11.7 1.0 O A:HOH1669 4.0 18.3 1.0 CB A:ASP167 4.3 10.3 1.0 OD1 A:ASN188 4.3 15.1 1.0 ND2 A:ASN188 4.4 15.9 1.0 CG A:ASN188 4.8 13.2 1.0 O A:HOH1671 4.8 9.0 1.0 CB A:THR186 4.9 10.8 1.0

Magnesium binding site 4 out of 4 in the X-Ray Crystal Structure of A Hyperactive, CA2+-Dependent, Beta-Helical Antifreeze Protein From An Antarctic Bacterium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of X-Ray Crystal Structure of A Hyperactive, CA2+-Dependent, Beta-Helical Antifreeze Protein From An Antarctic Bacterium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg324 b:18.2 occ:1.00 O B:HOH1666 1.9 19.2 1.0 O B:HOH1667 2.0 16.3 1.0 O B:HOH1665 2.1 19.4 1.0 O B:HOH1663 2.2 21.5 1.0 O B:HOH1664 2.2 13.5 1.0 OD2 B:ASP148 2.4 20.9 1.0 CG B:ASP148 3.3 19.2 1.0 OD1 B:ASP148 3.6 18.1 1.0 O B:HOH1152 3.8 17.0 1.0 O B:HOH683 3.8 21.2 1.0 ND2 B:ASN129 4.1 11.8 1.0 ND1 B:HIS166 4.4 31.4 1.0 O B:HOH369 4.4 11.9 1.0 OD1 B:ASN129 4.5 25.8 1.0 CB B:ASP148 4.6 14.6 1.0 CG B:ASN129 4.7 17.3 1.0

C.P.Garnham, R.L.Campbell, P.L.Davies. Anchored Clathrate Waters Bind Antifreeze Proteins to Ice. Proc.Natl.Acad.Sci.Usa V. 108 7363 2011.
ISSN: ISSN 0027-8424
PubMed: 21482800
DOI: 10.1073/PNAS.1100429108