Zinc in PDB 7ni5: Human Atm Kinase with Bound Inhibitor Ku-55933

All present enzymatic activity of Human Atm Kinase with Bound Inhibitor Ku-55933:
2.7.11.1;

The binding sites of Zinc atom in the Human Atm Kinase with Bound Inhibitor Ku-55933 (pdb code 7ni5). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Human Atm Kinase with Bound Inhibitor Ku-55933, PDB code: 7ni5:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Human Atm Kinase with Bound Inhibitor Ku-55933


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Atm Kinase with Bound Inhibitor Ku-55933 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn3102 b:167.6 occ:1.00 CE1 A:HIS1895 1.6 138.5 1.0 NE2 A:HIS1876 2.0 117.9 1.0 ND1 A:HIS1895 2.1 138.5 1.0 SG A:CYS1899 2.3 111.8 1.0 SG A:CYS1900 2.3 107.4 1.0 NE2 A:HIS1895 2.5 138.5 1.0 CE1 A:HIS1876 2.8 117.9 1.0 CG A:HIS1895 3.0 138.5 1.0 CD2 A:HIS1895 3.2 138.5 1.0 CD2 A:HIS1876 3.2 117.9 1.0 CB A:CYS1900 3.4 107.4 1.0 CB A:CYS1899 3.9 111.8 1.0 N A:CYS1900 3.9 107.4 1.0 ND1 A:HIS1876 4.0 117.9 1.0 C A:CYS1899 4.1 111.8 1.0 CB A:HIS1895 4.2 138.5 1.0 CG A:HIS1876 4.2 117.9 1.0 CA A:CYS1900 4.3 107.4 1.0 O A:CYS1899 4.4 111.8 1.0 CA A:CYS1899 4.5 111.8 1.0 N A:PHE1896 4.8 129.4 1.0 CD2 A:PHE1896 4.8 129.4 1.0 CB A:PHE1896 4.9 129.4 1.0

Zinc binding site 2 out of 4 in the Human Atm Kinase with Bound Inhibitor Ku-55933


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human Atm Kinase with Bound Inhibitor Ku-55933 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn3103 b:142.4 occ:1.00 SG A:CYS633 2.3 127.2 1.0 ND1 A:HIS636 2.3 126.5 1.0 SG A:CYS790 2.3 105.4 1.0 CE1 A:HIS636 2.4 126.5 1.0 CB A:CYS790 2.8 105.4 1.0 CA A:CYS790 2.9 105.4 1.0 CB A:CYS633 3.3 127.2 1.0 N A:THR791 3.5 106.8 1.0 CG A:HIS636 3.6 126.5 1.0 NE2 A:HIS636 3.7 126.5 1.0 C A:CYS790 3.7 105.4 1.0 NE2 A:HIS635 4.0 130.5 1.0 NZ A:LYS792 4.0 102.2 1.0 CD A:LYS792 4.0 102.2 1.0 CE1 A:HIS635 4.0 130.5 1.0 N A:CYS790 4.1 105.4 1.0 CD2 A:HIS636 4.3 126.5 1.0 CB A:HIS636 4.5 126.5 1.0 CA A:CYS633 4.5 127.2 1.0 CE A:LYS792 4.6 102.2 1.0 CG2 A:THR791 4.7 106.8 1.0 CA A:THR791 4.8 106.8 1.0 O A:ASN789 4.8 98.8 1.0 N A:LYS792 4.8 102.2 1.0 C A:ASN789 4.8 98.8 1.0 CD2 A:HIS635 4.9 130.5 1.0 ND1 A:HIS635 4.9 130.5 1.0 O A:CYS790 5.0 105.4 1.0

Zinc binding site 3 out of 4 in the Human Atm Kinase with Bound Inhibitor Ku-55933


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Human Atm Kinase with Bound Inhibitor Ku-55933 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn3102 b:161.4 occ:1.00 NE2 B:HIS1876 2.0 108.0 1.0 ND1 B:HIS1895 2.0 129.6 1.0 SG B:CYS1899 2.3 110.6 1.0 SG B:CYS1900 2.3 108.0 1.0 CE1 B:HIS1895 2.7 129.6 1.0 CD2 B:HIS1876 2.8 108.0 1.0 CE1 B:HIS1876 3.0 108.0 1.0 CG B:HIS1895 3.2 129.6 1.0 CB B:CYS1900 3.4 108.0 1.0 CB B:CYS1899 3.8 110.6 1.0 CB B:HIS1895 3.8 129.6 1.0 NE2 B:HIS1895 3.9 129.6 1.0 CG B:HIS1876 3.9 108.0 1.0 ND1 B:HIS1876 3.9 108.0 1.0 N B:CYS1900 4.0 108.0 1.0 C B:CYS1899 4.1 110.6 1.0 CD2 B:HIS1895 4.1 129.6 1.0 CA B:CYS1900 4.3 108.0 1.0 O B:CYS1899 4.4 110.6 1.0 CA B:HIS1895 4.5 129.6 1.0 CA B:CYS1899 4.5 110.6 1.0 N B:PHE1896 4.9 116.8 1.0

Zinc binding site 4 out of 4 in the Human Atm Kinase with Bound Inhibitor Ku-55933


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Human Atm Kinase with Bound Inhibitor Ku-55933 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn3103 b:141.7 occ:1.00 SG B:CYS633 2.3 129.6 1.0 SG B:CYS790 2.3 108.9 1.0 ND1 B:HIS636 2.3 127.0 1.0 CE1 B:HIS636 2.3 127.0 1.0 CB B:CYS790 2.7 108.9 1.0 CA B:CYS790 2.8 108.9 1.0 N B:THR791 3.5 105.9 1.0 CB B:CYS633 3.5 129.6 1.0 NE2 B:HIS636 3.6 127.0 1.0 CG B:HIS636 3.6 127.0 1.0 C B:CYS790 3.7 108.9 1.0 NE2 B:HIS635 3.8 132.7 1.0 CE1 B:HIS635 3.9 132.7 1.0 N B:CYS790 4.0 108.9 1.0 NZ B:LYS792 4.0 102.0 1.0 CD B:LYS792 4.1 102.0 1.0 CD2 B:HIS636 4.2 127.0 1.0 CB B:HIS636 4.6 127.0 1.0 OG1 B:THR791 4.6 105.9 1.0 O B:ASN789 4.7 102.3 1.0 CE B:LYS792 4.7 102.0 1.0 C B:ASN789 4.7 102.3 1.0 CA B:CYS633 4.7 129.6 1.0 CA B:THR791 4.8 105.9 1.0 CD2 B:HIS635 4.8 132.7 1.0 N B:LYS792 4.8 102.0 1.0 ND1 B:HIS635 4.9 132.7 1.0 O B:CYS790 4.9 108.9 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.