Magnesium in PDB 7ni6: Human Atm Kinase with Bound Atpys

All present enzymatic activity of Human Atm Kinase with Bound Atpys:
2.7.11.1;

The structure of Human Atm Kinase with Bound Atpys also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Human Atm Kinase with Bound Atpys (pdb code 7ni6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Human Atm Kinase with Bound Atpys, PDB code: 7ni6:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Human Atm Kinase with Bound Atpys


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human Atm Kinase with Bound Atpys within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg3203 b:57.7 occ:1.00 O2A A:AGS3202 2.1 67.8 1.0 OD1 A:ASN2875 2.3 35.5 1.0 O2G A:AGS3202 2.7 67.8 1.0 O2B A:AGS3202 2.9 67.8 1.0 OD2 A:ASP2889 3.1 44.1 1.0 CG A:ASN2875 3.5 35.5 1.0 PA A:AGS3202 3.7 67.8 1.0 CG A:ASP2889 3.9 44.1 1.0 PG A:AGS3202 3.9 67.8 1.0 CB A:ASP2889 3.9 44.1 1.0 S1G A:AGS3202 4.1 67.8 1.0 PB A:AGS3202 4.2 67.8 1.0 CE1 A:HIS2872 4.2 35.9 1.0 ND2 A:ASN2875 4.2 35.5 1.0 O A:GLN2874 4.2 36.5 1.0 NE2 A:HIS2872 4.3 35.9 1.0 O3A A:AGS3202 4.4 67.8 1.0 O5' A:AGS3202 4.5 67.8 1.0 O1A A:AGS3202 4.5 67.8 1.0 O3B A:AGS3202 4.6 67.8 1.0 C A:GLN2874 4.6 36.5 1.0 CA A:ASN2875 4.6 35.5 1.0 CB A:ASN2875 4.7 35.5 1.0 N A:ASN2875 4.8 35.5 1.0 OD1 A:ASP2889 5.0 44.1 1.0 CB A:GLN2874 5.0 36.5 1.0

Magnesium binding site 2 out of 2 in the Human Atm Kinase with Bound Atpys


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human Atm Kinase with Bound Atpys within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg3203 b:50.8 occ:1.00 O1B B:AGS3202 2.3 67.0 1.0 OD1 B:ASN2875 2.4 35.5 1.0 OD2 B:ASP2889 2.4 44.3 1.0 O2A B:AGS3202 2.7 67.0 1.0 CG B:ASP2889 3.4 44.3 1.0 CG B:ASN2875 3.5 35.5 1.0 O2G B:AGS3202 3.5 67.0 1.0 PA B:AGS3202 3.6 67.0 1.0 CB B:ASP2889 3.6 44.3 1.0 PB B:AGS3202 3.7 67.0 1.0 O1A B:AGS3202 3.8 67.0 1.0 ND2 B:ASN2875 4.0 35.5 1.0 O3A B:AGS3202 4.2 67.0 1.0 NE2 B:HIS2872 4.3 36.2 1.0 CE1 B:HIS2872 4.3 36.2 1.0 PG B:AGS3202 4.6 67.0 1.0 O B:GLN2874 4.6 39.3 1.0 OD1 B:ASP2889 4.6 44.3 1.0 O2B B:AGS3202 4.7 67.0 1.0 O3B B:AGS3202 4.7 67.0 1.0 CB B:ASN2875 4.8 35.5 1.0 S1G B:AGS3202 4.8 67.0 1.0 CA B:ASN2875 4.9 35.5 1.0 C B:GLN2874 5.0 39.3 1.0

K.Stakyte, M.Rotheneder, K.Lammens, J.D.Bartho, U.Graedler, T.Fuchss, U.Pehl, A.Alt, E.Van De Logt, K.P.Hopfner. Molecular Basis of Human Atm Kinase Inhibition To Be Published.