Zinc in PDB 5e9e: Crystal Structure of the Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A in Complex with Amp-Pnp

All present enzymatic activity of Crystal Structure of the Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A in Complex with Amp-Pnp:
2.7.11.7;

The structure of Crystal Structure of the Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A in Complex with Amp-Pnp, PDB code: 5e9e was solved by Q.Ye, Z.Jia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.40
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	82.601, 110.112, 78.265, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 23.6

The binding sites of Zinc atom in the Crystal Structure of the Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A in Complex with Amp-Pnp (pdb code 5e9e). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A in Complex with Amp-Pnp, PDB code: 5e9e:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A in Complex with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A in Complex with Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn902 b:33.5 occ:1.00 ND1 A:HIS742 2.1 28.2 1.0 NE2 A:HIS794 2.1 30.6 1.0 SG A:CYS800 2.2 30.7 1.0 SG A:CYS796 2.4 34.4 1.0 CE1 A:HIS742 3.0 29.6 1.0 CE1 A:HIS794 3.0 32.0 1.0 CB A:CYS800 3.0 31.9 1.0 CG A:HIS742 3.1 27.5 1.0 CD2 A:HIS794 3.2 32.2 1.0 CB A:CYS796 3.2 33.9 1.0 CA A:CYS796 3.3 34.5 1.0 CB A:HIS742 3.5 25.5 1.0 N A:CYS796 4.1 37.1 1.0 NE2 A:HIS742 4.1 27.8 1.0 ND1 A:HIS794 4.2 30.5 1.0 CD2 A:HIS742 4.2 28.5 1.0 CG A:HIS794 4.3 32.6 1.0 CA A:CYS800 4.4 32.0 1.0 CD1 A:LEU805 4.4 35.4 1.0 C A:CYS796 4.5 36.3 1.0 N A:ASN797 4.5 34.3 1.0 C A:LYS795 4.7 41.6 1.0 O A:LYS795 4.8 39.6 1.0 CB A:LEU805 4.9 37.9 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A in Complex with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Alpha-Kinase Domain of Myosin-II Heavy Chain Kinase A in Complex with Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn902 b:35.5 occ:1.00 NE2 B:HIS794 2.0 28.4 1.0 ND1 B:HIS742 2.1 29.9 1.0 SG B:CYS800 2.4 33.7 1.0 SG B:CYS796 2.4 43.5 1.0 CE1 B:HIS794 2.9 31.9 1.0 CE1 B:HIS742 2.9 29.4 1.0 CD2 B:HIS794 3.1 31.9 1.0 CG B:HIS742 3.1 28.0 1.0 CB B:CYS796 3.2 39.2 1.0 CB B:CYS800 3.2 32.4 1.0 CA B:CYS796 3.3 39.5 1.0 CB B:HIS742 3.6 26.2 1.0 N B:CYS796 4.0 37.7 1.0 NE2 B:HIS742 4.1 29.4 1.0 ND1 B:HIS794 4.1 30.9 1.0 CD2 B:HIS742 4.2 28.4 1.0 CG B:HIS794 4.2 31.4 1.0 O B:HOH1033 4.5 40.5 1.0 C B:CYS796 4.5 41.7 1.0 N B:ASN797 4.6 39.6 1.0 CA B:CYS800 4.6 33.4 1.0 CD1 B:LEU805 4.6 38.5 1.0 C B:LYS795 4.6 39.4 1.0 O B:LYS795 4.7 35.3 1.0

Q.Ye, Y.Yang, L.Van Staalduinen, S.W.Crawley, L.Liu, S.Brennan, G.P.Cote, Z.Jia. Structure of the Dictyostelium Myosin-II Heavy Chain Kinase A (Mhck-A) Alpha-Kinase Domain Apoenzyme Reveals A Novel Autoinhibited Conformation. Sci Rep V. 6 26634 2016.
ISSN: ESSN 2045-2322
PubMed: 27211275
DOI: 10.1038/SREP26634