Zinc in PDB 6z2w: MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp

All present enzymatic activity of MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp:
2.7.11.1;

The structure of MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Zinc atom in the MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp (pdb code 6z2w). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp, PDB code: 6z2w:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn2402 b:78.3 occ:1.00 NE2 E:HIS553 2.2 67.9 1.0 CB E:CYS467 2.5 82.8 1.0 CD2 E:HIS553 2.8 67.9 1.0 SG E:CYS467 3.0 82.8 1.0 SG E:CYS490 3.1 69.1 1.0 SG E:CYS493 3.1 62.0 1.0 CE1 E:HIS553 3.3 67.9 1.0 CB E:CYS493 3.4 62.0 1.0 CB E:CYS490 3.4 69.1 1.0 CA E:CYS467 3.7 82.8 1.0 NH2 E:ARG549 3.8 65.1 1.0 CG E:HIS553 4.0 67.9 1.0 ND1 E:HIS553 4.2 67.9 1.0 N E:CYS467 4.3 82.8 1.0 N E:CYS493 4.5 62.0 1.0 CA E:CYS493 4.5 62.0 1.0 CB E:ARG549 4.6 65.1 1.0 CG E:ARG549 4.6 65.1 1.0 CD E:ARG549 4.7 65.1 1.0 CA E:CYS490 4.8 69.1 1.0 C E:CYS467 4.9 82.8 1.0 O E:ARG549 4.9 65.1 1.0 CZ E:ARG549 5.0 65.1 1.0

Zinc binding site 2 out of 2 in the MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ F:Zn2402 b:77.9 occ:1.00 NE2 F:HIS553 2.2 68.2 1.0 CB F:CYS467 2.6 82.9 1.0 CD2 F:HIS553 2.7 68.2 1.0 SG F:CYS493 3.1 62.5 1.0 SG F:CYS467 3.1 82.9 1.0 SG F:CYS490 3.2 68.7 1.0 CE1 F:HIS553 3.4 68.2 1.0 CB F:CYS493 3.4 62.5 1.0 CB F:CYS490 3.5 68.7 1.0 CA F:CYS467 3.6 82.9 1.0 NH2 F:ARG549 3.8 65.0 1.0 CG F:HIS553 4.0 68.2 1.0 ND1 F:HIS553 4.2 68.2 1.0 N F:CYS467 4.3 82.9 1.0 CB F:ARG549 4.5 65.0 1.0 CG F:ARG549 4.5 65.0 1.0 N F:CYS493 4.5 62.5 1.0 CA F:CYS493 4.6 62.5 1.0 CD F:ARG549 4.6 65.0 1.0 O F:ARG549 4.8 65.0 1.0 C F:CYS467 4.9 82.9 1.0 CA F:CYS490 4.9 68.7 1.0 CZ F:ARG549 5.0 65.0 1.0 O F:GLY463 5.0 75.3 1.0

E.A.Tannous, L.A.Yates, X.Zhang, P.M.Burgers. Mechanism of Auto-Inhibition and Activation of MEC1 Atr Checkpoint Kinase. Nat.Struct.Mol.Biol. 2020.
ISSN: ESSN 1545-9985
PubMed: 33169019
DOI: 10.1038/S41594-020-00522-0