Magnesium in PDB 6a2d: Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1

The structure of Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1, PDB code: 6a2d was solved by X.Han, T.P.Ko, W.D.Liu, Y.Y.Zheng, C.C.Chen, R.T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.96
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	132.527, 132.527, 141.903, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 22.5

The structure of Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1 also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Magnesium atom in the Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1 (pdb code 6a2d). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1, PDB code: 6a2d:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1


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 A Synthase 2 From Santalum Album in Complex with LIGAND1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg901 b:22.8 occ:1.00 OAE A:6R2900 2.0 22.7 1.0 O A:HOH1299 2.1 23.2 1.0 O A:HOH1107 2.1 27.3 1.0 OD1 A:ASP316 2.1 19.8 1.0 O A:HOH1099 2.1 23.3 1.0 OD1 A:ASP320 2.2 32.8 1.0 MG A:MG902 2.9 25.6 1.0 CG A:ASP320 3.0 38.3 1.0 CG A:ASP316 3.0 19.5 1.0 OD2 A:ASP320 3.1 74.2 1.0 PAY A:6R2900 3.2 31.9 1.0 OD2 A:ASP316 3.3 21.2 1.0 OAG A:6R2900 3.5 28.0 1.0 OE1 A:GLU394 4.0 36.0 1.0 O A:HOH1149 4.2 30.8 1.0 CLJ A:6R2900 4.3 33.2 1.0 OAH A:6R2900 4.3 32.4 1.0 CB A:ASP316 4.3 17.7 1.0 OAF A:6R2900 4.3 32.8 1.0 O A:HOH1021 4.4 32.5 1.0 CB A:ASP320 4.4 28.9 1.0 CAX A:6R2900 4.4 32.3 1.0 O A:ASP316 4.5 16.2 1.0 CE1 A:TYR391 4.5 21.2 1.0 CD1 A:TYR391 4.7 21.6 1.0 CA A:ASP316 4.8 16.5 1.0 C A:ASP316 5.0 17.0 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1


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 A Synthase 2 From Santalum Album in Complex with LIGAND1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg902 b:25.6 occ:1.00 OD1 A:ASP320 1.8 32.8 1.0 OAE A:6R2900 2.0 22.7 1.0 OAF A:6R2900 2.0 32.8 1.0 O A:HOH1149 2.1 30.8 1.0 OD2 A:ASP316 2.1 21.2 1.0 O A:HOH1194 2.3 21.0 1.0 MG A:MG901 2.9 22.8 1.0 CG A:ASP320 2.9 38.3 1.0 CG A:ASP316 3.0 19.5 1.0 OD1 A:ASP316 3.2 19.8 1.0 PAY A:6R2900 3.2 31.9 1.0 PAZ A:6R2900 3.4 28.9 1.0 CB A:ASP320 3.5 28.9 1.0 OAH A:6R2900 3.7 32.4 1.0 CAX A:6R2900 3.9 32.3 1.0 OD2 A:ASP320 4.0 74.2 1.0 O A:HOH1299 4.0 23.2 1.0 O A:HOH1456 4.1 40.1 1.0 O A:HOH1216 4.2 29.1 1.0 O A:ASP316 4.2 16.2 1.0 CB A:ASP316 4.3 17.7 1.0 CLJ A:6R2900 4.3 33.2 1.0 C A:ASP316 4.5 17.0 1.0 O A:HOH1099 4.5 23.3 1.0 OAI A:6R2900 4.5 33.3 1.0 OAT A:6R2900 4.5 35.9 1.0 OAG A:6R2900 4.6 28.0 1.0 OD1 A:ASP317 4.6 23.1 1.0 O A:HOH1107 4.7 27.3 1.0 N A:ASP317 4.9 17.4 1.0 CA A:ASP316 4.9 16.5 1.0 CA A:ASP320 5.0 24.1 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg901 b:44.7 occ:1.00 OD2 B:ASP320 2.0 30.0 1.0 OAE B:6R2900 2.0 40.6 1.0 O B:HOH1016 2.0 32.4 1.0 O B:HOH1046 2.1 40.9 1.0 OD1 B:ASP316 2.2 36.5 1.0 O B:HOH1201 2.3 46.1 1.0 OD1 B:ASP320 2.4 30.0 1.0 CG B:ASP320 2.5 30.0 1.0 MG B:MG902 3.1 37.1 1.0 CG B:ASP316 3.1 31.2 1.0 PAY B:6R2900 3.4 49.2 1.0 OD2 B:ASP316 3.5 31.6 1.0 OE1 B:GLU394 3.6 76.1 1.0 OAG B:6R2900 3.9 48.2 1.0 CB B:ASP320 3.9 30.0 1.0 O B:HOH1099 4.0 45.5 1.0 OE2 B:GLU394 4.0 63.2 1.0 CD B:GLU394 4.3 68.8 1.0 O B:ASP316 4.3 36.0 1.0 OAH B:6R2900 4.4 47.6 1.0 CB B:ASP316 4.4 35.7 1.0 O B:HOH1095 4.5 46.1 1.0 CE1 B:TYR391 4.6 42.5 1.0 CLJ B:6R2900 4.7 46.8 1.0 OAF B:6R2900 4.7 39.5 1.0 CA B:ASP316 4.8 32.1 1.0 O B:HOH1049 4.8 38.4 1.0 C B:ASP316 4.8 36.3 1.0 CAX B:6R2900 4.8 52.5 1.0 CA B:ASP320 4.8 30.0 1.0 CD1 B:TYR391 4.9 43.2 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg902 b:37.1 occ:1.00 O B:HOH1095 2.0 46.1 1.0 OAF B:6R2900 2.0 39.5 1.0 OAE B:6R2900 2.0 40.6 1.0 OD2 B:ASP320 2.1 30.0 1.0 O B:HOH1099 2.1 45.5 1.0 OD2 B:ASP316 2.2 31.6 1.0 PAY B:6R2900 3.0 49.2 1.0 CG B:ASP316 3.0 31.2 1.0 MG B:MG901 3.1 44.7 1.0 OD1 B:ASP316 3.2 36.5 1.0 PAZ B:6R2900 3.2 50.9 1.0 CG B:ASP320 3.2 30.0 1.0 OAH B:6R2900 3.4 47.6 1.0 CAX B:6R2900 3.6 52.5 1.0 CB B:ASP320 3.9 30.0 1.0 CLJ B:6R2900 4.1 46.8 1.0 OAI B:6R2900 4.2 55.7 1.0 OD1 B:ASP320 4.2 30.0 1.0 O B:HOH1201 4.3 46.1 1.0 O B:HOH1046 4.4 40.9 1.0 OD1 B:ASP317 4.4 43.6 1.0 OAT B:6R2900 4.4 50.8 1.0 CB B:ASP316 4.4 35.7 1.0 OAG B:6R2900 4.5 48.2 1.0 O B:ASP316 4.7 36.0 1.0 C B:ASP316 4.8 36.3 1.0 O B:HOH1016 5.0 32.4 1.0

X.Han, T.P.Ko, W.D.Liu, Y.Y.Zheng, C.C.Chen, R.T.Guo. Crystal Structure of A Synthase 2 From Santalum Album To Be Published.