Zinc in PDB 5dyj: Mysosin Heavy Chain Kinase A Catalytic Domain Mutant - D663A

All present enzymatic activity of Mysosin Heavy Chain Kinase A Catalytic Domain Mutant - D663A:
2.7.11.7;

The structure of Mysosin Heavy Chain Kinase A Catalytic Domain Mutant - D663A, PDB code: 5dyj was solved by L.M.Van Staalduinen, Y.Yang, Z.Jia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 2.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	84.140, 110.250, 79.250, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 23.3

The binding sites of Zinc atom in the Mysosin Heavy Chain Kinase A Catalytic Domain Mutant - D663A (pdb code 5dyj). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Mysosin Heavy Chain Kinase A Catalytic Domain Mutant - D663A, PDB code: 5dyj:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Mysosin Heavy Chain Kinase A Catalytic Domain Mutant - D663A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Mysosin Heavy Chain Kinase A Catalytic Domain Mutant - D663A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn902 b:47.4 occ:1.00 ND1 A:HIS742 2.0 61.3 1.0 NE2 A:HIS794 2.0 32.8 1.0 CG A:HIS742 2.2 53.9 1.0 CB A:CYS796 2.3 62.7 1.0 CB A:HIS742 2.3 39.2 1.0 SG A:CYS800 2.4 45.9 1.0 CA A:CYS796 2.7 72.2 1.0 CE1 A:HIS794 2.8 36.1 1.0 SG A:CYS796 3.0 75.8 1.0 CE1 A:HIS742 3.0 60.0 1.0 CD2 A:HIS794 3.1 33.6 1.0 CD2 A:HIS742 3.3 31.8 1.0 N A:CYS796 3.5 57.3 1.0 CB A:CYS800 3.5 34.2 1.0 NE2 A:HIS742 3.7 54.6 1.0 CA A:HIS742 3.9 55.3 1.0 ND1 A:HIS794 4.0 41.9 1.0 C A:CYS796 4.1 46.0 1.0 CG A:HIS794 4.2 36.1 1.0 N A:ASN797 4.4 53.6 1.0 C A:LYS795 4.5 40.3 1.0 CD1 A:LEU805 4.6 29.5 1.0 N A:HIS742 4.7 50.1 1.0 C A:HIS742 4.8 53.3 1.0 CA A:CYS800 4.8 35.9 1.0 O A:LYS795 4.8 49.4 1.0 O A:HOH1018 4.9 45.5 1.0 O A:GLN738 4.9 32.5 1.0 CA A:ALA739 4.9 35.0 1.0

Zinc binding site 2 out of 2 in the Mysosin Heavy Chain Kinase A Catalytic Domain Mutant - D663A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Mysosin Heavy Chain Kinase A Catalytic Domain Mutant - D663A within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn902 b:39.9 occ:1.00 NE2 B:HIS794 2.0 29.9 1.0 ND1 B:HIS742 2.1 38.9 1.0 SG B:CYS800 2.2 36.4 1.0 CB B:CYS796 2.3 42.8 1.0 SG B:CYS796 2.4 43.1 1.0 CE1 B:HIS742 2.8 39.8 1.0 CA B:CYS796 3.0 50.9 1.0 CE1 B:HIS794 3.0 39.9 1.0 CD2 B:HIS794 3.0 32.8 1.0 CB B:CYS800 3.2 31.8 1.0 CG B:HIS742 3.2 39.2 1.0 CB B:HIS742 3.7 32.5 1.0 N B:CYS796 3.7 40.3 1.0 NE2 B:HIS742 4.0 33.6 1.0 ND1 B:HIS794 4.1 32.8 1.0 CG B:HIS794 4.2 36.6 1.0 CD2 B:HIS742 4.2 33.5 1.0 C B:CYS796 4.3 45.1 1.0 N B:ASN797 4.5 41.3 1.0 CA B:CYS800 4.5 40.4 1.0 CD1 B:LEU805 4.6 34.7 1.0 C B:LYS795 4.6 50.0 1.0 O B:LYS795 4.9 49.8 1.0 O B:ASP806 4.9 51.0 1.0 CB B:LEU805 5.0 40.2 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