Magnesium in PDB 2isi: Crystal Structure of APE1 From Homo Sapiens in A New Crystal Form Complexed with A Ligand

All present enzymatic activity of Crystal Structure of APE1 From Homo Sapiens in A New Crystal Form Complexed with A Ligand:
4.2.99.18;

The structure of Crystal Structure of APE1 From Homo Sapiens in A New Crystal Form Complexed with A Ligand, PDB code: 2isi was solved by R.Agarwal, M.D.Naidu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.13 / 2.76
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	167.347, 92.392, 94.006, 90.00, 121.38, 90.00
R / Rfree (%)	22.8 / 28.4

The binding sites of Magnesium atom in the Crystal Structure of APE1 From Homo Sapiens in A New Crystal Form Complexed with A Ligand (pdb code 2isi). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of APE1 From Homo Sapiens in A New Crystal Form Complexed with A Ligand, PDB code: 2isi:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of APE1 From Homo Sapiens in A New Crystal Form Complexed with A Ligand


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 APE1 From Homo Sapiens in A New Crystal Form Complexed with A Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:46.4 occ:1.00 OE2 A:GLU96 2.2 49.8 1.0 O A:HOH414 2.3 54.5 1.0 OE1 A:GLU96 2.5 51.0 1.0 OD1 A:ASP70 2.5 53.4 1.0 CD A:GLU96 2.6 48.9 1.0 CG A:ASP70 3.6 53.1 1.0 CB A:ASP70 4.0 51.8 1.0 CG A:GLU96 4.1 47.9 1.0 CA A:ASP70 4.1 51.8 1.0 OD2 A:ASP308 4.2 39.3 1.0 OD1 A:ASP308 4.2 40.8 1.0 OD2 A:ASP70 4.6 53.6 1.0 ND2 A:ASN68 4.6 54.5 1.0 CG A:ASP308 4.6 41.9 1.0 OD1 A:ASN68 4.6 55.0 1.0 OH A:TYR171 4.7 45.7 1.0 CB A:GLU96 4.8 46.7 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of APE1 From Homo Sapiens in A New Crystal Form Complexed with A Ligand


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 APE1 From Homo Sapiens in A New Crystal Form Complexed with A Ligand within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:53.4 occ:1.00 OD1 B:ASP70 2.4 60.7 1.0 OE1 B:GLU96 2.8 69.7 1.0 CG B:ASP70 3.3 60.2 1.0 CD B:GLU96 3.3 68.8 1.0 CB B:ASP70 3.6 59.6 1.0 CG B:GLU96 3.7 66.8 1.0 CA B:ASP70 3.8 57.7 1.0 ND2 B:ASN68 4.0 48.2 1.0 OE2 B:GLU96 4.1 69.9 1.0 OD1 B:ASP308 4.1 54.4 1.0 OD1 B:ASN68 4.2 47.9 1.0 OD2 B:ASP308 4.2 52.1 1.0 CB B:GLU96 4.4 63.2 1.0 OD2 B:ASP70 4.4 59.9 1.0 CG B:ASN68 4.5 48.0 1.0 CG B:ASP308 4.6 51.8 1.0 N B:ASP70 4.7 54.9 1.0 C B:ASP70 4.7 59.1 1.0 O B:ASP70 4.8 59.4 1.0 NZ B:LYS98 4.9 58.1 1.0 OH B:TYR171 5.0 57.8 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of APE1 From Homo Sapiens in A New Crystal Form Complexed with A Ligand


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 APE1 From Homo Sapiens in A New Crystal Form Complexed with A Ligand within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg404 b:66.3 occ:1.00 OE1 C:GLU96 2.2 66.2 1.0 OD1 C:ASP70 2.3 62.2 1.0 CG C:ASP70 2.9 62.1 1.0 CD C:GLU96 3.1 64.7 1.0 CB C:ASP70 3.4 60.6 1.0 OE2 C:GLU96 3.5 62.7 1.0 OD2 C:ASP308 3.6 51.2 1.0 ND2 C:ASN68 3.7 59.4 1.0 OD2 C:ASP70 3.8 61.1 1.0 OD1 C:ASP308 4.0 50.7 1.0 CG C:ASP308 4.3 52.1 1.0 CA C:ASP70 4.3 58.9 1.0 CG C:GLU96 4.3 64.2 1.0 CG C:ASN68 4.6 59.6 1.0 OD1 C:ASN68 4.6 62.2 1.0 NE2 C:HIS309 4.9 59.0 1.0 CB C:GLU96 5.0 64.1 1.0

R.Agarwal, M.D.Naidu. Crystal Structure of HAPE1 in A New Crystal Form with A Bound Ligand: Implications on Catalytic Mechanism and Its Inhibition To Be Published.