Magnesium in PDB 3en9: Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein

All present enzymatic activity of Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein:
3.4.24.57;

The structure of Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein, PDB code: 3en9 was solved by D.Neculai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.29 / 2.67
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	148.730, 148.730, 136.420, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 26.4

The structure of Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein also contains other interesting chemical elements:

Bromine	(Br)	19 atoms
Tantalum	(Ta)	9 atoms

The binding sites of Magnesium atom in the Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein (pdb code 3en9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein, PDB code: 3en9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg600 b:76.1 occ:1.00 OD1 A:ASP284 2.1 65.8 1.0 NE2 A:HIS106 2.1 52.4 1.0 NE2 A:HIS110 2.1 51.6 1.0 OH A:TYR127 2.2 50.3 1.0 CE1 A:HIS106 2.5 50.4 1.0 CD2 A:HIS110 2.9 51.6 1.0 CG A:ASP284 3.0 60.3 1.0 CE1 A:HIS110 3.2 51.0 1.0 CZ A:TYR127 3.2 52.5 1.0 CD2 A:HIS106 3.3 50.2 1.0 OD2 A:ASP284 3.6 59.8 1.0 CE1 A:TYR127 3.7 52.0 1.0 ND1 A:HIS106 3.8 48.8 1.0 CG A:HIS110 4.1 51.5 1.0 CB A:ASP284 4.2 54.9 1.0 CG A:HIS106 4.2 47.4 1.0 ND1 A:HIS110 4.2 51.9 1.0 CE2 A:TYR127 4.3 51.9 1.0 CA A:ASP284 4.3 52.1 1.0 N A:ASP284 4.5 48.1 1.0 CE A:MET288 4.6 58.9 1.0 OD1 A:ASN132 4.7 55.9 1.0 CB A:SER129 4.9 53.8 1.0 OG A:SER129 4.9 55.2 1.0 OG1 A:THR9 4.9 53.7 1.0

Magnesium binding site 2 out of 2 in the Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg600 b:77.9 occ:1.00 OD1 B:ASP284 2.1 67.8 1.0 NE2 B:HIS110 2.1 47.4 1.0 NE2 B:HIS106 2.1 59.5 1.0 OH B:TYR127 2.2 59.4 1.0 CE1 B:HIS106 2.7 59.5 1.0 CD2 B:HIS110 3.0 45.8 1.0 CE1 B:HIS110 3.1 46.8 1.0 CZ B:TYR127 3.2 58.5 1.0 CG B:ASP284 3.2 65.0 1.0 CD2 B:HIS106 3.3 58.3 1.0 O B:HOH636 3.5 47.4 1.0 CE1 B:TYR127 3.7 57.5 1.0 OD2 B:ASP284 3.9 66.9 1.0 ND1 B:HIS106 3.9 58.6 1.0 CG B:HIS110 4.1 44.5 1.0 ND1 B:HIS110 4.1 45.4 1.0 CG B:HIS106 4.2 57.0 1.0 CB B:ASP284 4.3 59.1 1.0 CE2 B:TYR127 4.4 57.5 1.0 CA B:ASP284 4.4 56.0 1.0 N B:ASP284 4.4 53.1 1.0 CE B:MET288 4.5 39.9 1.0 CB B:SER129 4.9 57.2 1.0 OD1 B:ASN132 5.0 66.5 1.0 CD1 B:TYR127 5.0 55.6 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