Zinc in PDB 6mcq: L. Pneumophila Effector Kinase LEGK7 in Complex with Human MOB1A

All present enzymatic activity of L. Pneumophila Effector Kinase LEGK7 in Complex with Human MOB1A:
2.7.11.1;

The structure of L. Pneumophila Effector Kinase LEGK7 in Complex with Human MOB1A, PDB code: 6mcq 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)	49.49 / 2.57
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	107.400, 113.100, 157.850, 90.00, 106.00, 90.00
R / Rfree (%)	19.9 / 24.5

The binding sites of Zinc atom in the L. Pneumophila Effector Kinase LEGK7 in Complex with Human MOB1A (pdb code 6mcq). 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 in Complex with Human MOB1A, PDB code: 6mcq:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the L. Pneumophila Effector Kinase LEGK7 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 in Complex with Human MOB1A within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:59.4 occ:1.00 NE2 B:HIS166 2.1 53.4 1.0 NE2 B:HIS161 2.2 54.3 1.0 SG B:CYS84 2.2 57.9 1.0 SG B:CYS79 2.3 55.0 1.0 CD2 B:HIS166 3.0 50.2 1.0 CE1 B:HIS161 3.0 56.7 1.0 CE1 B:HIS166 3.1 55.2 1.0 CB B:CYS79 3.2 57.9 1.0 CD2 B:HIS161 3.2 52.6 1.0 CB B:CYS84 3.4 57.5 1.0 CA B:CYS79 3.7 61.0 1.0 CB B:ALA111 4.0 47.5 1.0 CG B:HIS166 4.1 49.8 1.0 ND1 B:HIS161 4.1 56.0 1.0 ND1 B:HIS166 4.2 55.0 1.0 CG B:HIS161 4.3 51.4 1.0 OG B:SER83 4.4 52.5 1.0 C B:CYS79 4.6 63.0 1.0 CB B:GLN165 4.8 51.4 1.0 CA B:CYS84 4.8 59.2 1.0 N B:CYS79 4.9 65.1 1.0 N B:THR80 4.9 63.8 1.0

Zinc binding site 2 out of 2 in the L. Pneumophila Effector Kinase LEGK7 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 in Complex with Human MOB1A within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn301 b:70.1 occ:1.00 NE2 D:HIS166 2.0 73.0 1.0 NE2 D:HIS161 2.1 63.0 1.0 SG D:CYS84 2.3 63.9 1.0 SG D:CYS79 2.3 72.9 1.0 CE1 D:HIS161 2.9 62.6 1.0 CD2 D:HIS166 2.9 70.0 1.0 CE1 D:HIS166 3.1 73.5 1.0 CD2 D:HIS161 3.2 61.8 1.0 CB D:CYS79 3.3 71.8 1.0 CB D:CYS84 3.5 69.1 1.0 CA D:CYS79 3.8 74.0 1.0 CB D:ALA111 3.9 65.4 1.0 ND1 D:HIS161 4.1 63.6 1.0 CG D:HIS166 4.1 67.8 1.0 ND1 D:HIS166 4.1 70.6 1.0 CG D:HIS161 4.2 62.3 1.0 CB D:GLN165 4.4 67.9 1.0 OG D:SER83 4.6 66.0 1.0 C D:CYS79 4.7 77.6 1.0 CA D:CYS84 4.9 73.5 1.0 N D:CYS79 5.0 75.5 1.0 N D:THR80 5.0 79.5 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.