Magnesium in PDB 3eno: Crystal Structure of Pyrococcus Furiosus PCC1 in Complex with Thermoplasma Acidophilum KAE1

All present enzymatic activity of Crystal Structure of Pyrococcus Furiosus PCC1 in Complex with Thermoplasma Acidophilum KAE1:
3.4.24.57;

The structure of Crystal Structure of Pyrococcus Furiosus PCC1 in Complex with Thermoplasma Acidophilum KAE1, PDB code: 3eno was solved by D.Neculai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.58 / 3.02
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	66.560, 66.560, 435.559, 90.00, 90.00, 120.00
R / Rfree (%)	24.3 / 28.2

The binding sites of Magnesium atom in the Crystal Structure of Pyrococcus Furiosus PCC1 in Complex with Thermoplasma Acidophilum KAE1 (pdb code 3eno). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Pyrococcus Furiosus PCC1 in Complex with Thermoplasma Acidophilum KAE1, PDB code: 3eno:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Pyrococcus Furiosus PCC1 in Complex with Thermoplasma Acidophilum KAE1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Pyrococcus Furiosus PCC1 in Complex with Thermoplasma Acidophilum KAE1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg600 b:47.3 occ:1.00 NE2 A:HIS107 2.7 71.5 1.0 NE2 A:HIS111 2.7 72.1 1.0 OD1 A:ASP285 2.7 79.4 1.0 OH A:TYR128 2.8 77.8 1.0 OG A:SER130 3.4 93.5 1.0 CD2 A:HIS111 3.5 70.1 1.0 CE1 A:HIS107 3.6 68.7 1.0 CG A:ASP285 3.6 81.9 1.0 CZ A:TYR128 3.7 81.6 1.0 CD2 A:HIS107 3.7 68.1 1.0 CE1 A:TYR128 3.7 78.0 1.0 CE1 A:HIS111 3.8 74.4 1.0 OD2 A:ASP285 3.8 80.7 1.0 CB A:SER130 4.0 86.9 1.0 CG A:HIS111 4.7 66.4 1.0 ND1 A:HIS107 4.7 67.4 1.0 ND1 A:HIS111 4.8 68.3 1.0 CG A:HIS107 4.8 66.5 1.0 CB A:ASP285 4.9 76.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Pyrococcus Furiosus PCC1 in Complex with Thermoplasma Acidophilum KAE1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Pyrococcus Furiosus PCC1 in Complex with Thermoplasma Acidophilum KAE1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg600 b:73.6 occ:1.00 OG B:SER130 2.7 97.5 1.0 OD1 B:ASP285 2.7 73.4 1.0 NE2 B:HIS111 2.9 75.3 1.0 OH B:TYR128 3.4 74.8 1.0 NE2 B:HIS107 3.5 59.5 1.0 CG B:ASP285 3.5 79.9 1.0 CB B:SER130 3.7 87.7 1.0 CE1 B:HIS111 3.8 77.9 1.0 OD2 B:ASP285 3.8 82.9 1.0 CD2 B:HIS111 3.8 73.4 1.0 CE1 B:TYR128 3.8 80.5 1.0 CZ B:TYR128 4.1 82.2 1.0 CE1 B:HIS107 4.3 61.2 1.0 N B:ASP285 4.6 81.7 1.0 CD2 B:HIS107 4.6 64.5 1.0 CB B:ASP285 4.7 73.9 1.0 CA B:ASP285 4.8 71.2 1.0 CA B:GLY252 4.9 69.8 1.0 ND1 B:HIS111 4.9 72.1 1.0 CG B:HIS111 4.9 73.6 1.0 O B:CYS283 5.0 73.0 1.0 CA B:SER130 5.0 80.9 1.0

D.Y.Mao, D.Neculai, M.Downey, S.Orlicky, Y.Z.Haffani, D.F.Ceccarelli, J.S.Ho, R.K.Szilard, W.Zhang, C.S.Ho, L.Wan, C.Fares, S.Rumpel, I.Kurinov, C.H.Arrowsmith, D.Durocher, F.Sicheri. Atomic Structure of the Keops Complex: An Ancient Protein Kinase-Containing Molecular Machine. Mol.Cell V. 32 259 2008.
ISSN: ISSN 1097-2765
PubMed: 18951093
DOI: 10.1016/J.MOLCEL.2008.10.002