Zinc in PDB 4nl0: Structural and Functional Characterization of A Novel Alpha Kinase in Complex with Adp From Entamoeba Histolytica

The structure of Structural and Functional Characterization of A Novel Alpha Kinase in Complex with Adp From Entamoeba Histolytica, PDB code: 4nl0 was solved by K.F.Tarique, S.A.A.Rehman, A.Bhattacharya, S.Gourinath, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.89 / 2.41
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.500, 90.030, 123.720, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 23.6

The binding sites of Zinc atom in the Structural and Functional Characterization of A Novel Alpha Kinase in Complex with Adp From Entamoeba Histolytica (pdb code 4nl0). 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 in Complex with Adp From Entamoeba Histolytica, PDB code: 4nl0:
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 in Complex with Adp 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 in Complex with Adp From Entamoeba Histolytica within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:10.3 occ:1.00 ND1 A:HIS195 1.9 11.1 1.0 NE2 A:HIS253 2.0 9.7 1.0 SG A:CYS259 2.1 12.6 1.0 SG A:CYS255 2.2 10.2 1.0 CE1 A:HIS195 2.8 11.0 1.0 CD2 A:HIS253 3.0 10.0 1.0 CE1 A:HIS253 3.0 9.4 1.0 CG A:HIS195 3.0 10.8 1.0 CB A:CYS259 3.0 14.3 1.0 CB A:CYS255 3.2 11.1 1.0 CA A:CYS255 3.3 11.7 1.0 CB A:HIS195 3.5 10.9 1.0 NE2 A:HIS195 4.0 11.2 1.0 N A:CYS255 4.1 11.8 1.0 CD2 A:HIS195 4.1 10.8 1.0 ND1 A:HIS253 4.1 9.0 1.0 CG A:HIS253 4.2 9.8 1.0 CA A:CYS259 4.4 16.2 1.0 C A:CYS255 4.4 12.6 1.0 CD1 A:LEU264 4.5 12.7 1.0 N A:ASN256 4.5 12.3 1.0 O A:GLN254 4.5 13.2 1.0 C A:GLN254 4.6 12.7 1.0 NE2 A:GLN270 4.8 12.3 1.0 OE1 A:GLN270 4.8 14.3 1.0 CB A:LEU264 4.9 13.8 1.0

Zinc binding site 2 out of 2 in the Structural and Functional Characterization of A Novel Alpha Kinase in Complex with Adp 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 in Complex with Adp From Entamoeba Histolytica within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:6.2 occ:0.64 NE2 B:HIS253 1.9 16.8 1.0 ND1 B:HIS195 1.9 17.8 1.0 SG B:CYS259 2.1 21.7 1.0 SG B:CYS255 2.2 20.9 1.0 CE1 B:HIS195 2.8 18.5 1.0 CE1 B:HIS253 2.9 16.5 1.0 CD2 B:HIS253 2.9 17.4 1.0 CG B:HIS195 3.0 17.5 1.0 CB B:CYS259 3.2 21.2 1.0 CB B:CYS255 3.3 19.3 1.0 CA B:CYS255 3.3 21.5 1.0 CB B:HIS195 3.4 16.4 1.0 N B:CYS255 4.0 21.9 1.0 ND1 B:HIS253 4.0 16.7 1.0 NE2 B:HIS195 4.0 19.4 1.0 CG B:HIS253 4.1 18.4 1.0 CD2 B:HIS195 4.1 17.8 1.0 NE2 B:GLN270 4.4 26.7 1.0 O B:GLN254 4.4 24.7 1.0 C B:CYS255 4.5 24.0 1.0 C B:GLN254 4.5 24.7 1.0 CA B:CYS259 4.6 22.3 1.0 CD1 B:LEU264 4.6 18.3 1.0 N B:ASN256 4.6 23.7 1.0 OE1 B:GLN270 4.7 25.9 1.0 CD B:GLN270 4.9 29.8 1.0 CA B:HIS195 4.9 16.1 1.0

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