Zinc in PDB 6mcp: L. Pneumophila Effector Kinase LEGK7 (Amp-Pnp Bound) in Complex with Human MOB1A

All present enzymatic activity of L. Pneumophila Effector Kinase LEGK7 (Amp-Pnp Bound) in Complex with Human MOB1A:
2.7.11.1;

The structure of L. Pneumophila Effector Kinase LEGK7 (Amp-Pnp Bound) in Complex with Human MOB1A, PDB code: 6mcp was solved by K.A.Beyrakhova, C.Xu, M.T.Boniecki, M.Cygler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.67 / 2.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	106.860, 112.430, 155.220, 90.00, 105.58, 90.00
R / Rfree (%)	19.4 / 23.3

The structure of L. Pneumophila Effector Kinase LEGK7 (Amp-Pnp Bound) in Complex with Human MOB1A also contains other interesting chemical elements:

Manganese

(Mn)

1 atom

The binding sites of Zinc atom in the L. Pneumophila Effector Kinase LEGK7 (Amp-Pnp Bound) in Complex with Human MOB1A (pdb code 6mcp). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the L. Pneumophila Effector Kinase LEGK7 (Amp-Pnp Bound) in Complex with Human MOB1A, PDB code: 6mcp:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the L. Pneumophila Effector Kinase LEGK7 (Amp-Pnp Bound) in Complex with Human MOB1A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of L. Pneumophila Effector Kinase LEGK7 (Amp-Pnp Bound) in Complex with Human MOB1A within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:51.2 occ:1.00 NE2 B:HIS166 2.0 50.8 1.0 NE2 B:HIS161 2.0 54.1 1.0 SG B:CYS84 2.3 51.8 1.0 SG B:CYS79 2.3 52.8 1.0 CE1 B:HIS161 2.8 50.8 1.0 CD2 B:HIS166 2.9 49.0 1.0 CE1 B:HIS166 3.1 52.0 1.0 CD2 B:HIS161 3.2 49.8 1.0 CB B:CYS79 3.3 47.0 1.0 CB B:CYS84 3.4 50.4 1.0 CA B:CYS79 3.8 51.2 1.0 CB B:ALA111 3.9 50.0 1.0 ND1 B:HIS161 4.0 51.1 1.0 CG B:HIS166 4.1 45.8 1.0 ND1 B:HIS166 4.1 45.1 1.0 CG B:HIS161 4.2 50.7 1.0 OG B:SER83 4.4 51.7 1.0 CB B:GLN165 4.5 55.7 1.0 C B:CYS79 4.7 55.6 1.0 CA B:CYS84 4.8 57.6 1.0 N B:CYS79 4.9 61.3 1.0

Zinc binding site 2 out of 2 in the L. Pneumophila Effector Kinase LEGK7 (Amp-Pnp Bound) in Complex with Human MOB1A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of L. Pneumophila Effector Kinase LEGK7 (Amp-Pnp Bound) in Complex with Human MOB1A within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn301 b:71.9 occ:1.00 NE2 D:HIS166 2.1 71.8 1.0 NE2 D:HIS161 2.1 69.6 1.0 SG D:CYS84 2.3 71.5 1.0 SG D:CYS79 2.3 76.8 1.0 CE1 D:HIS161 2.9 70.6 1.0 CE1 D:HIS166 3.0 74.2 1.0 CD2 D:HIS166 3.1 68.8 1.0 CD2 D:HIS161 3.2 68.2 1.0 CB D:CYS84 3.3 79.1 1.0 CB D:CYS79 3.4 75.0 1.0 CA D:CYS79 3.8 80.9 1.0 CB D:ALA111 4.0 74.8 1.0 ND1 D:HIS161 4.1 69.8 1.0 ND1 D:HIS166 4.2 70.9 1.0 CG D:HIS166 4.2 69.0 1.0 OG D:SER83 4.3 74.6 1.0 CG D:HIS161 4.3 67.7 1.0 CB D:GLN165 4.6 72.4 1.0 C D:CYS79 4.6 82.0 1.0 CA D:CYS84 4.7 85.5 1.0 N D:THR80 4.9 82.3 1.0 N D:CYS79 4.9 85.5 1.0 N D:CYS84 5.0 85.5 1.0

P.-C.Lee, K.Beyrakhova, C.Xu, M.T.Boniecki, M.Lee, A.M.Grishin, M.P.Machner, M.Cygler. Structural Insight Into A Bacterial Kinase-Host Activator Complex That Exploits the Mammalian Hippo Pathway To Be Published.