Zinc in PDB 5sw3: Crystal Structure of Tgt in Complex with 3-Pyridinecarboxylic Acid, 6- (Dimethylamino)

All present enzymatic activity of Crystal Structure of Tgt in Complex with 3-Pyridinecarboxylic Acid, 6- (Dimethylamino):
2.4.2.29;

The structure of Crystal Structure of Tgt in Complex with 3-Pyridinecarboxylic Acid, 6- (Dimethylamino), PDB code: 5sw3 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)	44.46 / 1.38
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	89.027, 64.071, 70.453, 90.00, 92.82, 90.00
R / Rfree (%)	13.3 / 16.2

The binding sites of Zinc atom in the Crystal Structure of Tgt in Complex with 3-Pyridinecarboxylic Acid, 6- (Dimethylamino) (pdb code 5sw3). 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 3-Pyridinecarboxylic Acid, 6- (Dimethylamino), PDB code: 5sw3:

Zinc binding site 1 out of 1 in the Crystal Structure of Tgt in Complex with 3-Pyridinecarboxylic Acid, 6- (Dimethylamino)


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 3-Pyridinecarboxylic Acid, 6- (Dimethylamino) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:12.9 occ:1.00 ND1 A:HIS349 2.1 10.8 1.0 SG A:CYS320 2.3 12.3 1.0 SG A:CYS323 2.3 12.9 1.0 SG A:CYS318 2.3 14.3 1.0 CE1 A:HIS349 3.0 12.8 1.0 HB2 A:CYS323 3.0 15.7 1.0 HE1 A:HIS349 3.0 15.3 1.0 HB3 A:CYS318 3.1 18.4 1.0 HB3 A:CYS320 3.2 15.6 1.0 CG A:HIS349 3.2 10.4 1.0 CB A:CYS323 3.3 13.1 1.0 CB A:CYS318 3.3 15.3 1.0 HB2 A:HIS349 3.3 12.5 1.0 H A:CYS323 3.3 15.2 1.0 CB A:CYS320 3.4 13.0 1.0 H A:CYS320 3.5 17.6 1.0 HA A:HIS349 3.5 12.4 1.0 HB2 A:CYS318 3.6 18.4 1.0 CB A:HIS349 3.7 10.4 1.0 HB A:VAL322 3.8 14.9 1.0 N A:CYS323 3.9 12.7 1.0 HB3 A:CYS323 4.0 15.7 1.0 CA A:HIS349 4.1 10.3 1.0 HB2 A:CYS320 4.1 15.6 1.0 N A:CYS320 4.1 14.6 1.0 NE2 A:HIS349 4.1 12.6 1.0 HB2 A:LEU314 4.2 14.5 1.0 CA A:CYS323 4.2 13.1 1.0 CA A:CYS320 4.2 13.9 1.0 CD2 A:HIS349 4.3 10.4 1.0 HE22 A:GLN356 4.4 24.1 1.0 HB3 A:ALA352 4.5 14.2 1.0 HD12 A:LEU314 4.5 14.1 1.0 HB3 A:ASP315 4.5 20.8 1.0 O A:HIS349 4.5 9.9 1.0 H A:ASP315 4.6 17.0 1.0 HA A:CYS323 4.6 15.7 1.0 HB3 A:HIS349 4.6 12.5 1.0 CA A:CYS318 4.6 16.0 1.0 O A:CYS320 4.7 13.5 1.0 C A:CYS320 4.7 12.7 1.0 C A:HIS349 4.8 9.6 1.0 C A:CYS318 4.8 16.6 1.0 H A:VAL322 4.8 14.4 1.0 CB A:VAL322 4.8 12.4 1.0 HE2 A:HIS349 4.9 15.1 1.0 C A:VAL322 5.0 12.6 1.0 O A:CYS318 5.0 18.4 1.0

E.Hassaan, A.Heine, G.Klebe. Crystal Structure of Tgt in Complex with 3-Pyridinecarboxylic Acid, 6-(Dimethylamino) To Be Published.