Magnesium in PDB 9ayi: Human Malic Enzyme 2 Cofactor Complex at 1.89 Angstrom.

All present enzymatic activity of Human Malic Enzyme 2 Cofactor Complex at 1.89 Angstrom.:
1.1.1.38;

The structure of Human Malic Enzyme 2 Cofactor Complex at 1.89 Angstrom., PDB code: 9ayi was solved by B.A.Krinkel, C.J.Squire, K.M.Loomes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.42 / 1.89
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	74.325, 98.166, 107.739, 65.32, 70.75, 74.89
R / Rfree (%)	17.7 / 20.1

The structure of Human Malic Enzyme 2 Cofactor Complex at 1.89 Angstrom. also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Magnesium atom in the Human Malic Enzyme 2 Cofactor Complex at 1.89 Angstrom. (pdb code 9ayi). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Human Malic Enzyme 2 Cofactor Complex at 1.89 Angstrom., PDB code: 9ayi:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Human Malic Enzyme 2 Cofactor Complex at 1.89 Angstrom.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human Malic Enzyme 2 Cofactor Complex at 1.89 Angstrom. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg606 b:34.2 occ:1.00 O A:HOH1071 2.0 42.4 1.0 O D:HOH1012 2.0 42.6 1.0 O A:HOH1087 2.0 41.7 1.0 NE2 A:HIS154 2.0 36.2 1.0 NE2 D:HIS154 2.0 39.6 1.0 O D:HOH918 2.1 43.6 1.0 CE1 A:HIS154 2.8 34.5 1.0 CE1 D:HIS154 2.9 39.4 1.0 CD2 D:HIS154 3.1 36.3 1.0 CD2 A:HIS154 3.1 34.6 1.0 ND1 A:HIS154 4.0 34.9 1.0 ND1 D:HIS154 4.1 38.2 1.0 CG A:HIS154 4.2 33.5 1.0 CG D:HIS154 4.2 35.5 1.0 OD1 D:ASN153 4.5 45.3 1.0 CB D:ASN153 4.6 33.7 1.0 ND2 A:ASN153 4.7 40.2 1.0 CB A:ASN153 4.7 32.1 1.0 O C:HOH758 4.9 43.5 1.0 CG D:ASN153 5.0 39.0 1.0

Magnesium binding site 2 out of 2 in the Human Malic Enzyme 2 Cofactor Complex at 1.89 Angstrom.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human Malic Enzyme 2 Cofactor Complex at 1.89 Angstrom. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg606 b:30.2 occ:1.00 O B:HOH1103 2.0 31.6 0.5 O B:HOH1017 2.0 38.6 1.0 O C:HOH1121 2.0 40.0 1.0 NE2 B:HIS154 2.0 37.7 1.0 NE2 C:HIS154 2.0 32.7 1.0 O B:HOH1144 2.2 30.9 0.5 CD2 C:HIS154 3.0 32.5 1.0 CD2 B:HIS154 3.0 36.5 1.0 CE1 B:HIS154 3.0 36.0 1.0 CE1 C:HIS154 3.0 32.9 1.0 CG C:HIS154 4.1 31.4 1.0 ND1 B:HIS154 4.1 36.2 1.0 ND1 C:HIS154 4.1 32.5 1.0 CG B:HIS154 4.1 34.2 1.0 ND2 B:ASN153 4.5 40.0 1.0 CB C:ASN153 4.6 31.9 1.0 ND2 C:ASN153 4.8 39.3 1.0 CB B:ASN153 4.8 32.8 1.0 O B:HOH1011 4.8 43.0 1.0 O C:HOH1012 5.0 44.0 1.0

B.A.Krinkel, C.J.Squire, K.M.Loomes. Human Malic Enzyme 2 Complex with Inhibitor Npd-389 To Be Published.