Magnesium in PDB 8qcc: E.Coli Ispe in Complex with A Ligand (1)

The structure of E.Coli Ispe in Complex with A Ligand (1), PDB code: 8qcc was solved by R.Hamid, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.16 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	142.57, 52.793, 90.253, 90, 126.69, 90
R / Rfree (%)	19.4 / 23.5

The binding sites of Magnesium atom in the E.Coli Ispe in Complex with A Ligand (1) (pdb code 8qcc). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the E.Coli Ispe in Complex with A Ligand (1), PDB code: 8qcc:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the E.Coli Ispe in Complex with A Ligand (1)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of E.Coli Ispe in Complex with A Ligand (1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:52.6 occ:1.00 O1A A:ADP301 2.5 62.6 1.0 OG A:SER108 2.7 31.9 1.0 OD1 A:ASP141 2.8 52.0 1.0 O2B A:ADP301 3.3 56.2 1.0 CB A:SER108 3.3 29.5 1.0 CG A:ASP141 3.6 48.2 1.0 O3A A:ADP301 3.6 78.7 1.0 CA A:GLY105 3.6 39.6 1.0 PA A:ADP301 3.6 59.6 1.0 CB A:ASP141 3.7 31.5 1.0 N A:SER108 3.8 32.6 1.0 O A:HOH467 3.8 41.8 1.0 PB A:ADP301 4.0 68.6 1.0 C A:GLY105 4.0 34.0 1.0 CA A:SER108 4.2 33.4 1.0 O A:GLY105 4.2 32.6 1.0 O A:HOH429 4.5 34.1 1.0 O5' A:ADP301 4.5 69.7 1.0 N A:GLY105 4.5 33.5 1.0 O3B A:ADP301 4.6 67.0 1.0 OD2 A:ASP141 4.6 47.5 1.0 N A:GLY106 4.7 31.0 1.0 N A:GLY107 4.8 38.9 1.0 C A:GLY107 4.8 33.6 1.0 O2A A:ADP301 4.9 51.1 1.0 O A:HOH411 5.0 36.5 1.0

Magnesium binding site 2 out of 5 in the E.Coli Ispe in Complex with A Ligand (1)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of E.Coli Ispe in Complex with A Ligand (1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:48.2 occ:1.00 N A:GLY38 3.6 36.0 1.0 C A:TYR37 3.6 32.5 1.0 N A:TYR37 3.8 32.5 1.0 CA A:PRO8 4.0 30.1 1.0 O A:TYR37 4.0 34.7 1.0 CA A:TYR37 4.0 32.0 1.0 CA A:GLY38 4.0 38.9 1.0 CB A:PRO6 4.1 36.1 1.0 CB A:PRO8 4.1 25.2 1.0 CB A:PRO277 4.1 32.8 1.0 N A:PRO8 4.2 30.1 1.0 CG A:PRO277 4.3 39.7 1.0 O A:ASP39 4.3 38.5 1.0 C A:GLY38 4.4 38.3 1.0 N A:SER7 4.4 32.3 1.0 C A:SER7 4.4 35.2 1.0 C A:ASP36 4.5 37.6 1.0 O A:SER7 4.5 32.3 1.0 OD1 A:ASP36 4.6 41.8 1.0 CA A:PRO6 4.6 31.7 1.0 O A:GLY38 4.7 38.9 1.0 CD A:PRO8 4.8 30.0 1.0 O A:LEU35 4.9 34.9 1.0 N A:ASP39 4.9 37.2 1.0 C A:PRO6 4.9 34.2 1.0

Magnesium binding site 3 out of 5 in the E.Coli Ispe in Complex with A Ligand (1)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of E.Coli Ispe in Complex with A Ligand (1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg303 b:56.2 occ:1.00 O2A B:ADP301 2.3 48.5 1.0 OG B:SER108 2.6 43.3 1.0 H5'1 B:ADP301 2.6 66.4 1.0 O1B B:ADP301 2.9 56.4 1.0 OD2 B:ASP141 3.2 45.8 1.0 N B:SER108 3.5 31.9 1.0 PA B:ADP301 3.5 48.2 1.0 CB B:SER108 3.6 37.9 1.0 C5' B:ADP301 3.7 55.4 1.0 O B:HOH470 3.8 43.2 1.0 O5' B:ADP301 4.0 54.0 1.0 CG B:ASP141 4.0 55.0 1.0 PB B:ADP301 4.1 43.4 1.0 O3A B:ADP301 4.1 50.4 1.0 CA B:SER108 4.1 35.0 1.0 CB B:ASP141 4.1 36.6 1.0 H5'2 B:ADP301 4.2 66.4 1.0 C B:GLY107 4.3 37.2 1.0 CD1 B:LEU66 4.3 40.8 1.0 CA B:GLY105 4.4 31.2 1.0 CA B:GLY107 4.4 39.6 1.0 N B:GLY107 4.4 36.5 1.0 O4' B:ADP301 4.5 44.6 1.0 C B:GLY105 4.6 34.6 1.0 C4' B:ADP301 4.6 54.9 1.0 O B:GLY105 4.6 36.6 1.0 O2B B:ADP301 4.7 35.5 1.0 H4' B:ADP301 4.9 65.8 1.0 O1A B:ADP301 4.9 47.0 1.0

Magnesium binding site 4 out of 5 in the E.Coli Ispe in Complex with A Ligand (1)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of E.Coli Ispe in Complex with A Ligand (1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg304 b:49.2 occ:1.00 N B:GLY38 3.4 36.7 1.0 C B:TYR37 3.6 33.9 1.0 N B:TYR37 3.7 39.7 1.0 CA B:GLY38 3.9 36.8 1.0 CA B:PRO8 3.9 33.3 1.0 CA B:TYR37 4.0 37.6 1.0 O B:TYR37 4.0 35.4 1.0 CB B:PRO6 4.1 38.1 1.0 N B:PRO8 4.1 33.8 1.0 CB B:PRO8 4.1 27.6 1.0 CG B:PRO277 4.2 48.7 1.0 C B:SER7 4.3 33.6 1.0 N B:SER7 4.4 37.0 1.0 C B:GLY38 4.4 40.5 1.0 C B:ASP36 4.5 41.7 1.0 O B:SER7 4.5 36.5 1.0 OD1 B:ASP36 4.6 52.9 1.0 O B:LEU35 4.6 32.8 1.0 CD B:PRO8 4.6 33.7 1.0 CB B:PRO277 4.6 44.0 1.0 O B:ASP39 4.6 39.4 1.0 NH2 B:ARG97 4.7 45.4 1.0 CA B:PRO6 4.8 37.4 1.0 O B:GLY38 4.8 38.5 1.0 CA B:ASP36 4.9 41.6 1.0 CG B:PRO8 5.0 32.5 1.0 C B:PRO6 5.0 40.0 1.0

Magnesium binding site 5 out of 5 in the E.Coli Ispe in Complex with A Ligand (1)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of E.Coli Ispe in Complex with A Ligand (1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg305 b:45.5 occ:1.00 O B:HOH476 2.4 43.6 1.0 O B:GLU158 2.7 36.5 1.0 NE B:ARG147 3.2 48.2 1.0 NH2 B:ARG147 3.4 48.6 1.0 CB B:PRO143 3.7 35.9 1.0 O B:HOH460 3.7 42.9 1.0 CZ B:ARG147 3.8 48.4 1.0 C B:GLU158 3.8 39.7 1.0 CB B:GLU158 3.9 33.3 1.0 CD1 B:LEU160 4.0 39.6 1.0 CB B:ALA132 4.1 39.2 1.0 CA B:GLU158 4.1 39.2 1.0 CD B:ARG147 4.3 44.6 1.0 CG B:GLU158 4.3 35.8 1.0 CG B:PRO143 4.5 37.2 1.0 CG B:LEU160 4.9 37.7 1.0 CA B:PRO143 4.9 36.6 1.0 O B:ALA132 5.0 35.5 1.0 N B:ILE159 5.0 36.1 1.0

R.Hamid, R.Hamid. N/A N/A.