Zinc in PDB 5uti: Crystal Structure of Tgt in Complex with Fragment in PREQ1 Pocket

All present enzymatic activity of Crystal Structure of Tgt in Complex with Fragment in PREQ1 Pocket:
2.4.2.29;

The structure of Crystal Structure of Tgt in Complex with Fragment in PREQ1 Pocket, PDB code: 5uti was solved by E.Hassaan, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.51 / 1.36
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	89.158, 64.322, 70.851, 90.00, 93.12, 90.00
R / Rfree (%)	13.5 / 15.8

The binding sites of Zinc atom in the Crystal Structure of Tgt in Complex with Fragment in PREQ1 Pocket (pdb code 5uti). 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 Crystal Structure of Tgt in Complex with Fragment in PREQ1 Pocket, PDB code: 5uti:

Zinc binding site 1 out of 1 in the Crystal Structure of Tgt in Complex with Fragment in PREQ1 Pocket


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 Tgt in Complex with Fragment in PREQ1 Pocket within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:13.3 occ:0.88 ND1 A:HIS349 2.2 13.2 1.0 SG A:CYS323 2.3 15.1 1.0 SG A:CYS320 2.3 13.9 1.0 SG A:CYS318 2.3 15.6 1.0 CE1 A:HIS349 3.0 14.3 1.0 HB3 A:CYS318 3.0 19.3 1.0 HB2 A:CYS323 3.0 17.4 1.0 HE1 A:HIS349 3.0 17.2 1.0 HB3 A:CYS320 3.2 17.5 1.0 CB A:CYS318 3.2 16.1 1.0 CB A:CYS323 3.3 14.5 1.0 H A:CYS323 3.3 17.0 1.0 CG A:HIS349 3.3 12.2 1.0 CB A:CYS320 3.4 14.6 1.0 HB2 A:HIS349 3.4 14.3 1.0 H A:CYS320 3.4 19.5 1.0 HA A:HIS349 3.5 13.2 1.0 HB2 A:CYS318 3.6 19.3 1.0 CB A:HIS349 3.8 11.9 1.0 HB A:VAL322 3.9 17.1 1.0 N A:CYS323 3.9 14.2 1.0 HB3 A:CYS323 4.0 17.4 1.0 N A:CYS320 4.1 16.2 1.0 HB2 A:CYS320 4.1 17.5 1.0 CA A:HIS349 4.1 11.0 1.0 NE2 A:HIS349 4.2 14.6 1.0 HB2 A:LEU314 4.2 17.8 1.0 CA A:CYS323 4.2 14.7 1.0 CA A:CYS320 4.2 15.7 1.0 CD2 A:HIS349 4.3 12.5 1.0 HB3 A:ALA352 4.4 15.7 1.0 HD12 A:LEU314 4.5 17.6 1.0 H A:ASP315 4.5 18.9 1.0 HE22 A:GLN356 4.6 28.1 1.0 O A:HIS349 4.6 11.8 1.0 HB3 A:ASP315 4.6 22.2 1.0 CA A:CYS318 4.6 17.2 1.0 HA A:CYS323 4.6 17.7 1.0 C A:CYS320 4.7 14.8 1.0 O A:CYS320 4.7 14.9 1.0 HB3 A:HIS349 4.7 14.3 1.0 H A:VAL322 4.8 16.7 1.0 C A:CYS318 4.8 17.4 1.0 C A:HIS349 4.8 11.3 1.0 CB A:VAL322 4.8 14.2 1.0 HE2 A:HIS349 4.9 17.5 1.0 C A:VAL322 4.9 15.0 1.0 O A:CYS318 4.9 18.4 1.0

E.Hassaan, A.Heine, G.Klebe. Crystal Structure of Tgt in Complex with Fragment in PREQ1 Pocket To Be Published.