Zinc in PDB 4kuj: Structural and Functional Characterization of A Novel Alpha Kinase From Entamoeba Histolytica

The structure of Structural and Functional Characterization of A Novel Alpha Kinase From Entamoeba Histolytica, PDB code: 4kuj was solved by S.A.A.Rehman, K.F.Tarique, A.Bhattacharya, S.Gourinath, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.99
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.057, 89.634, 122.920, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 23.9

The binding sites of Zinc atom in the Structural and Functional Characterization of A Novel Alpha Kinase From Entamoeba Histolytica (pdb code 4kuj). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structural and Functional Characterization of A Novel Alpha Kinase From Entamoeba Histolytica, PDB code: 4kuj:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structural and Functional Characterization of A Novel Alpha Kinase From Entamoeba Histolytica


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structural and Functional Characterization of A Novel Alpha Kinase From Entamoeba Histolytica within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:17.9 occ:1.00 NE2 A:HIS253 2.1 14.6 1.0 ND1 A:HIS195 2.1 15.0 1.0 SG A:CYS259 2.2 16.6 1.0 SG A:CYS255 2.3 17.7 1.0 CD2 A:HIS253 3.0 14.1 1.0 CE1 A:HIS195 3.0 16.9 1.0 CG A:HIS195 3.1 16.1 1.0 CE1 A:HIS253 3.1 14.3 1.0 CB A:CYS259 3.2 17.7 1.0 CA A:CYS255 3.3 18.1 1.0 CB A:CYS255 3.3 16.8 1.0 CB A:HIS195 3.5 16.2 1.0 N A:CYS255 4.0 17.0 1.0 CG A:HIS253 4.2 14.3 1.0 NE2 A:HIS195 4.2 16.9 1.0 ND1 A:HIS253 4.2 14.5 1.0 CD2 A:HIS195 4.3 16.1 1.0 CD1 A:LEU264 4.4 18.2 1.0 C A:CYS255 4.5 19.3 1.0 N A:ASN256 4.5 19.4 1.0 CA A:CYS259 4.5 18.6 1.0 O A:HOH418 4.6 21.1 1.0 O A:GLN254 4.6 20.2 1.0 C A:GLN254 4.6 18.6 1.0 NE2 A:GLN270 4.8 19.0 1.0 OE1 A:GLN270 4.8 20.1 1.0

Zinc binding site 2 out of 2 in the Structural and Functional Characterization of A Novel Alpha Kinase From Entamoeba Histolytica


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structural and Functional Characterization of A Novel Alpha Kinase From Entamoeba Histolytica within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:15.0 occ:0.64 ND1 B:HIS195 2.0 21.7 1.0 NE2 B:HIS253 2.0 23.9 1.0 SG B:CYS259 2.1 24.8 1.0 SG B:CYS255 2.4 30.1 1.0 CE1 B:HIS195 2.9 23.1 1.0 CE1 B:HIS253 3.0 24.1 1.0 CG B:HIS195 3.0 23.0 1.0 CD2 B:HIS253 3.0 24.9 1.0 CB B:CYS259 3.1 24.2 1.0 CA B:CYS255 3.4 29.0 1.0 CB B:CYS255 3.4 29.6 1.0 CB B:HIS195 3.5 21.9 1.0 N B:CYS255 4.1 26.8 1.0 NE2 B:HIS195 4.1 22.6 1.0 CD2 B:HIS195 4.2 21.9 1.0 ND1 B:HIS253 4.2 23.6 1.0 CG B:HIS253 4.2 24.3 1.0 O B:GLN254 4.3 29.1 1.0 CA B:CYS259 4.4 24.4 1.0 CD1 B:LEU264 4.5 23.6 1.0 C B:GLN254 4.5 29.1 1.0 NE2 B:GLN270 4.5 28.6 1.0 C B:CYS255 4.5 31.6 1.0 N B:ASN256 4.5 30.4 1.0 O B:HOH430 4.7 28.8 1.0 OE1 B:GLN270 4.9 28.7 1.0 CA B:HIS195 5.0 21.1 1.0

S.A.A.Rehman, K.F.Tarique, A.Bhattacharya, S.Gourinath. Structural and Functional Characterization of A Novel Alpha Kinase From Entamoeba Histolytica To Be Published.