Magnesium in PDB 8asa: Crystal Structure of AO75L

The structure of Crystal Structure of AO75L, PDB code: 8asa was solved by M.E.Laugeri, I.Speciale, A.Gimeno, S.Lin, A.Poveda, T.Lowary, J.L.Vanetten, J.J.Barbero, C.De Castro, M.Tonetti, A.L.Rojas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.84 / 2.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	86.708, 90.772, 91.676, 90.46, 108.6, 109.71
R / Rfree (%)	19.4 / 24.1

The structure of Crystal Structure of AO75L also contains other interesting chemical elements:

Calcium

(Ca)

26 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 25;

Binding sites:

The binding sites of Magnesium atom in the Crystal Structure of AO75L (pdb code 8asa). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 25 binding sites of Magnesium where determined in the Crystal Structure of AO75L, PDB code: 8asa:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 25 in the Crystal Structure of AO75L


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 AO75L within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg309 b:56.1 occ:1.00 O3 A:GOL302 2.4 55.8 1.0 C3 A:GOL302 3.7 50.8 1.0 CB A:ASP73 4.1 31.9 1.0 CE1 A:TYR74 4.2 31.3 1.0 CD1 A:TYR74 4.3 31.6 1.0 O A:ASN202 4.4 34.4 1.0 C2 A:GOL302 4.7 48.6 1.0 C A:ASP73 4.7 31.1 1.0 O A:ASP73 4.7 32.3 1.0 CB A:ASN202 4.8 37.2 1.0 C A:ASN202 4.9 33.6 1.0 OD2 A:ASP73 4.9 33.1 1.0 N A:TYR74 4.9 30.2 1.0

Magnesium binding site 2 out of 25 in the Crystal Structure of AO75L


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 AO75L within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg310 b:68.0 occ:1.00 OD2 A:ASP12 2.4 44.3 1.0 OE1 A:GLU9 3.1 57.8 1.0 NZ A:LYS267 3.2 45.9 1.0 O A:THR7 3.4 50.7 1.0 CG A:ASP12 3.4 42.4 1.0 CE A:LYS267 3.5 45.2 1.0 OD1 A:ASP12 3.7 44.8 1.0 N A:GLU9 3.9 49.1 1.0 CD A:GLU9 4.0 56.4 1.0 CD A:LYS267 4.0 42.9 1.0 CG A:GLU9 4.2 52.8 1.0 CA A:LEU8 4.2 48.0 1.0 C A:THR7 4.3 48.5 1.0 C A:LEU8 4.3 47.8 1.0 CB A:GLU9 4.4 50.7 1.0 N A:LEU8 4.6 48.2 1.0 CB A:ASP12 4.7 42.3 1.0 CA A:GLU9 4.8 49.7 1.0 OG1 A:THR7 4.9 53.8 1.0 CG A:LYS267 4.9 42.2 1.0

Magnesium binding site 3 out of 25 in the Crystal Structure of AO75L


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 AO75L within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg311 b:58.8 occ:1.00 O A:SER10 2.6 46.5 1.0 NZ A:LYS18 2.9 40.1 1.0 OG1 A:THR128 3.4 39.0 1.0 CE A:LYS18 3.5 38.5 1.0 CD2 A:PHE13 3.6 33.1 1.0 CB A:PHE13 3.7 34.2 1.0 C A:SER10 3.8 47.7 1.0 O A:HOH428 3.9 47.5 1.0 CA A:ASP11 3.9 49.3 1.0 N A:PHE13 4.1 36.5 1.0 CB A:THR128 4.1 38.9 1.0 CG A:PHE13 4.2 33.5 1.0 C A:ASP11 4.2 46.4 1.0 CG2 A:THR128 4.2 37.8 1.0 O A:PHE13 4.2 35.7 1.0 N A:ASP11 4.3 47.1 1.0 O A:HOH521 4.3 50.9 1.0 CA A:PHE13 4.4 35.4 1.0 N A:ASP12 4.5 43.1 1.0 O A:ASP11 4.6 44.9 1.0 CE2 A:PHE13 4.7 32.7 1.0 C A:PHE13 4.8 34.7 1.0 CD A:LYS18 5.0 38.0 1.0 CA A:SER10 5.0 47.7 1.0

Magnesium binding site 4 out of 25 in the Crystal Structure of AO75L


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 AO75L within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg312 b:80.7 occ:1.00 OE1 A:GLU78 3.3 69.0 1.0 OE2 A:GLU78 3.7 65.3 1.0 CD A:GLU78 4.0 63.3 1.0 CD1 A:ILE99 4.6 41.8 1.0 CG1 A:ILE99 4.7 40.3 1.0 CD1 A:ILE81 4.8 37.4 1.0

Magnesium binding site 5 out of 25 in the Crystal Structure of AO75L


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of AO75L within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg313 b:69.6 occ:1.00 OH A:TYR146 2.9 38.5 1.0 OD2 A:ASP189 3.0 46.1 1.0 CD A:LYS185 3.4 55.2 1.0 CG A:ASP189 3.5 45.3 1.0 CE A:LYS185 3.8 56.9 1.0 N A:LYS175 3.9 66.2 1.0 CA A:GLY174 3.9 53.5 1.0 CZ A:TYR146 4.0 35.9 1.0 CB A:ASP189 4.0 41.9 1.0 CA A:PHE186 4.0 39.1 1.0 OD1 A:ASP189 4.1 48.7 1.0 CE1 A:TYR146 4.2 36.6 1.0 N A:PHE186 4.3 39.4 1.0 C A:GLY174 4.4 58.0 1.0 O A:LYS185 4.4 40.0 1.0 O A:LYS175 4.5 69.2 1.0 C A:LYS185 4.5 41.4 1.0 OE1 A:GLU177 4.6 87.0 1.0 CB A:PHE186 4.6 39.6 1.0 ND2 A:ASN148 4.7 38.2 1.0 C A:LYS175 4.7 68.6 1.0 CG A:LYS185 4.8 52.6 1.0 NZ A:LYS185 4.9 56.7 1.0 CA A:LYS175 4.9 68.8 1.0 O A:PHE186 5.0 37.2 1.0

Magnesium binding site 6 out of 25 in the Crystal Structure of AO75L


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of AO75L within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg314 b:31.4 occ:1.00 N A:TRP241 3.3 26.2 1.0 NH1 A:ARG160 3.5 29.9 1.0 CB A:ASP240 3.6 28.3 1.0 CD1 A:TRP241 3.7 24.7 1.0 CB A:TRP241 3.8 26.4 1.0 CA A:ASP240 3.8 27.0 1.0 CD A:ARG160 3.9 27.5 1.0 NZ A:LYS222 3.9 28.7 0.4 C A:ASP240 4.0 26.9 1.0 CG A:TRP241 4.1 25.4 1.0 CA A:TRP241 4.2 26.1 1.0 CE A:LYS222 4.3 28.2 0.6 CZ A:ARG160 4.5 28.5 1.0 O A:HOH434 4.5 44.5 1.0 NE A:ARG160 4.6 27.0 1.0 CG A:ASP240 4.7 29.7 1.0 CE A:LYS222 4.7 28.5 0.4 CD A:LYS222 4.8 28.8 0.6 NE1 A:TRP241 4.9 24.6 1.0 CG A:ARG160 4.9 28.0 1.0 N A:GLU242 5.0 28.4 1.0 C A:TRP241 5.0 27.1 1.0 CD A:LYS222 5.0 28.8 0.4

Magnesium binding site 7 out of 25 in the Crystal Structure of AO75L


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of AO75L within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg307 b:63.8 occ:1.00 O B:HOH537 2.6 60.1 1.0 O B:HOH511 2.7 28.2 1.0 NE2 B:HIS207 3.0 34.4 1.0 O B:HOH504 3.3 49.8 1.0 NE2 B:HIS122 3.7 46.5 1.0 O B:HOH533 3.8 50.6 1.0 CE1 B:HIS207 3.9 33.4 1.0 CD2 B:HIS207 3.9 33.1 1.0 O F:HOH491 4.1 52.5 1.0 OG1 B:THR112 4.2 39.3 1.0 CD2 B:HIS122 4.3 45.6 1.0 CG2 B:THR112 4.4 37.8 1.0 O B:HOH545 4.5 44.8 1.0 CB B:THR112 4.7 37.6 1.0 CE1 B:HIS122 4.7 46.5 1.0 CA B:THR112 4.7 36.9 1.0 O B:HOH416 4.8 34.4 1.0

Magnesium binding site 8 out of 25 in the Crystal Structure of AO75L


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of AO75L within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg308 b:32.0 occ:1.00 NH1 B:ARG160 3.3 26.2 1.0 N B:TRP241 3.4 29.6 1.0 CB B:ASP240 3.5 32.3 1.0 CD1 B:TRP241 3.7 28.5 1.0 CA B:ASP240 3.9 30.5 1.0 CD B:ARG160 4.0 26.1 1.0 CB B:TRP241 4.0 29.1 1.0 C B:ASP240 4.1 29.0 1.0 CG B:TRP241 4.2 28.9 1.0 CA B:TRP241 4.3 29.6 1.0 CZ B:ARG160 4.4 26.7 1.0 CE B:LYS222 4.4 31.0 1.0 O B:HOH419 4.6 41.3 1.0 NE B:ARG160 4.6 26.1 1.0 CG B:ASP240 4.6 34.8 1.0 CD B:LYS222 4.8 30.8 1.0 NE1 B:TRP241 4.8 28.5 1.0

Magnesium binding site 9 out of 25 in the Crystal Structure of AO75L


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Crystal Structure of AO75L within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg309 b:47.2 occ:1.00 OD2 B:ASP205 2.7 28.3 1.0 O B:PHE107 2.9 33.8 1.0 O B:HOH432 3.0 31.6 1.0 N B:ASN96 3.3 29.8 1.0 CG B:ASP205 3.6 29.0 1.0 CA B:GLN95 3.6 31.5 1.0 CB B:ASP205 3.7 28.8 1.0 C B:GLN95 3.9 29.9 1.0 C B:PHE107 4.0 35.0 1.0 N B:LEU109 4.1 33.6 1.0 CB B:GLN95 4.3 34.0 1.0 CE2 B:PHE230 4.3 33.8 1.0 O B:CYS94 4.3 35.4 1.0 CA B:ASN96 4.3 28.8 1.0 CZ B:PHE230 4.4 33.7 1.0 CA B:PRO108 4.5 34.9 1.0 N B:PHE107 4.5 33.8 1.0 OD1 B:ASN96 4.6 27.5 1.0 CE B:MSE227 4.6 38.9 1.0 C B:PRO108 4.6 34.1 1.0 CB B:SER106 4.7 33.9 1.0 N B:PRO108 4.7 34.6 1.0 N B:GLN95 4.7 33.0 1.0 OD1 B:ASP205 4.8 28.5 1.0 O B:ALA226 4.8 32.2 1.0 CG B:GLN95 4.8 35.9 1.0 C B:CYS94 4.9 33.0 1.0 OG B:SER106 4.9 34.6 1.0 CA B:PHE107 5.0 35.0 1.0

Magnesium binding site 10 out of 25 in the Crystal Structure of AO75L


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Crystal Structure of AO75L within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg308 b:54.7 occ:1.00 O D:HOH506 2.5 39.7 1.0 OE1 D:GLN159 3.0 32.1 1.0 CG1 D:VAL151 3.7 31.2 1.0 CD D:GLN159 3.8 31.2 1.0 NE2 D:GLN159 3.8 30.1 1.0 CB D:VAL151 3.8 31.2 1.0 CG2 D:VAL151 4.0 31.2 1.0 O D:HOH534 5.0 40.6 1.0

M.E.Laugeri, I.Speciale, A.Gimeno, S.Lin, A.Poveda, T.Lowary, J.L.Van Etten, J.J.Barbero, C.De Castro, M.Tonetti, A.L.Rojas. Crystal Structure of AO75L To Be Published.