Zinc in PDB 4ghr: Tgt D102N Mutant in Complex with Lin-Benzohypoxanthine Inhibitor

All present enzymatic activity of Tgt D102N Mutant in Complex with Lin-Benzohypoxanthine Inhibitor:
2.4.2.29;

The structure of Tgt D102N Mutant in Complex with Lin-Benzohypoxanthine Inhibitor, PDB code: 4ghr was solved by F.Immekus, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.224, 64.518, 70.592, 90.00, 95.58, 90.00
R / Rfree (%)	17.7 / 24.8

The binding sites of Zinc atom in the Tgt D102N Mutant in Complex with Lin-Benzohypoxanthine Inhibitor (pdb code 4ghr). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Tgt D102N Mutant in Complex with Lin-Benzohypoxanthine Inhibitor, PDB code: 4ghr:

Zinc binding site 1 out of 1 in the Tgt D102N Mutant in Complex with Lin-Benzohypoxanthine Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Tgt D102N Mutant in Complex with Lin-Benzohypoxanthine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:15.8 occ:1.00 SG A:CYS318 2.2 17.0 1.0 ND1 A:HIS349 2.3 16.8 1.0 SG A:CYS323 2.3 13.8 1.0 SG A:CYS320 2.3 15.5 1.0 CE1 A:HIS349 3.1 22.2 1.0 CB A:CYS318 3.2 20.4 1.0 CB A:CYS323 3.2 10.0 1.0 CB A:CYS320 3.4 15.1 1.0 CG A:HIS349 3.4 12.0 1.0 CB A:HIS349 3.8 12.1 1.0 N A:CYS323 4.0 12.3 1.0 N A:CYS320 4.0 17.2 1.0 CA A:HIS349 4.1 15.5 1.0 CA A:CYS323 4.2 15.2 1.0 CA A:CYS320 4.2 13.5 1.0 NE2 A:HIS349 4.2 14.5 1.0 CD2 A:HIS349 4.4 14.1 1.0 CA A:CYS318 4.5 23.4 1.0 O A:HIS349 4.5 17.2 1.0 O A:CYS320 4.6 17.5 1.0 C A:CYS320 4.6 12.7 1.0 C A:CYS318 4.6 23.5 1.0 C A:HIS349 4.7 19.4 1.0 O A:CYS318 4.9 19.0 1.0 CB A:VAL322 4.9 15.3 1.0 C A:VAL322 5.0 9.5 1.0

F.Immekus, L.J.Barandun, F.Diederich, G.Klebe. Protonation State Analysis of the Tgt Active Site To Be Published.