Magnesium in PDB 1v26: Crystal Structure of TT0168 From Thermus Thermophilus HB8

All present enzymatic activity of Crystal Structure of TT0168 From Thermus Thermophilus HB8:
6.2.1.3;

The structure of Crystal Structure of TT0168 From Thermus Thermophilus HB8, PDB code: 1v26 was solved by Y.Hisanaga, H.Ago, T.Nakatsu, K.Hamada, K.Ida, H.Kanda, M.Yamamoto, T.Hori, Y.Arii, M.Sugahara, S.Kuramitsu, S.Yokoyama, M.Miyano, Riken Structural Genomics/Proteomics Initiative(Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.10 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.510, 101.381, 176.898, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 24

The binding sites of Magnesium atom in the Crystal Structure of TT0168 From Thermus Thermophilus HB8 (pdb code 1v26). 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 TT0168 From Thermus Thermophilus HB8, PDB code: 1v26:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of TT0168 From Thermus Thermophilus HB8


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 TT0168 From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg3001 b:35.2 occ:1.00 O3P A:AMP1002 2.5 8.3 1.0 O A:HOH3127 2.6 15.8 1.0 OE2 A:GLU328 2.7 12.4 1.0 OG1 A:THR184 3.0 22.2 1.0 O A:HOH3229 3.4 43.3 1.0 CD A:GLU328 3.5 13.1 1.0 OE1 A:GLU328 3.6 13.6 1.0 CB A:THR184 3.7 21.9 1.0 P A:AMP1002 3.8 7.6 1.0 CG2 A:THR184 3.9 21.9 1.0 CD2 A:LEU326 3.9 13.2 1.0 O5' A:AMP1002 3.9 9.3 1.0 N A:THR327 4.0 12.5 1.0 C5' A:AMP1002 4.1 11.5 1.0 OG1 A:THR327 4.1 12.9 1.0 CB A:LEU326 4.1 12.5 1.0 CB A:THR327 4.2 12.8 1.0 CG A:LEU326 4.5 12.6 1.0 O A:GLY186 4.6 27.6 1.0 CA A:LEU326 4.7 12.4 1.0 CA A:THR327 4.7 12.6 1.0 O2P A:AMP1002 4.8 7.2 1.0 O1P A:AMP1002 4.8 7.3 1.0 C A:LEU326 4.8 12.4 1.0 N A:GLU328 4.9 12.4 1.0 CA A:GLY186 4.9 26.7 1.0 NE1 A:TRP444 4.9 32.3 1.0 NZ A:LYS435 5.0 42.1 1.0 CG A:GLU328 5.0 12.2 1.0 C4' A:AMP1002 5.0 12.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of TT0168 From Thermus Thermophilus HB8


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 TT0168 From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg3002 b:31.7 occ:1.00 O3P B:AMP2002 2.6 19.6 1.0 OG1 B:THR184 2.9 19.6 1.0 OE2 B:GLU328 3.0 12.8 1.0 OE1 B:GLU328 3.7 13.0 1.0 CD B:GLU328 3.7 13.2 1.0 CB B:THR184 3.8 19.4 1.0 P B:AMP2002 3.9 19.9 1.0 C5' B:AMP2002 4.0 18.6 1.0 CG2 B:THR184 4.0 19.1 1.0 O5' B:AMP2002 4.0 19.1 1.0 OG1 B:THR327 4.2 14.0 1.0 CD2 B:LEU326 4.2 11.9 1.0 N B:THR327 4.3 13.2 1.0 CB B:THR327 4.4 13.5 1.0 O B:GLY186 4.4 26.1 1.0 CB B:LEU326 4.4 13.1 1.0 NE1 B:TRP444 4.4 32.6 1.0 CA B:GLY186 4.6 25.1 1.0 CG B:LEU326 4.7 12.6 1.0 O B:HOH3168 4.7 38.2 1.0 NZ B:LYS435 4.7 39.0 1.0 CZ2 B:TRP444 4.8 31.4 1.0 O2P B:AMP2002 4.8 19.8 1.0 C B:GLY186 4.8 25.9 1.0 N B:GLY186 4.9 24.0 1.0 CE2 B:TRP444 4.9 32.2 1.0 O1P B:AMP2002 4.9 20.4 1.0 CA B:LEU326 4.9 13.1 1.0 C4' B:AMP2002 4.9 17.9 1.0 CA B:THR327 5.0 13.4 1.0

Y.Hisanaga, H.Ago, N.Nakagawa, K.Hamada, K.Ida, M.Yamamoto, T.Hori, Y.Arii, M.Sugahara, S.Kuramitsu, S.Yokoyama, M.Miyano. Structural Basis of the Substrate-Specific Two-Step Catalysis of Long Chain Fatty Acyl-Coa Synthetase Dimer J.Biol.Chem. V. 279 31717 2004.
ISSN: ISSN 0021-9258
PubMed: 15145952
DOI: 10.1074/JBC.M400100200