Zinc in PDB 1q4w: Crystal Structure of Tgt in Complex with 2,6-Diamino-3H-Quinazolin-4- One

All present enzymatic activity of Crystal Structure of Tgt in Complex with 2,6-Diamino-3H-Quinazolin-4- One:
2.4.2.29;

The structure of Crystal Structure of Tgt in Complex with 2,6-Diamino-3H-Quinazolin-4- One, PDB code: 1q4w was solved by R.Brenk, E.Meyer, K.Reuter, M.T.Stubbs, G.A.Garcia, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.93
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.350, 65.330, 70.160, 90.00, 96.10, 90.00
R / Rfree (%)	17.1 / 20.7

The binding sites of Zinc atom in the Crystal Structure of Tgt in Complex with 2,6-Diamino-3H-Quinazolin-4- One (pdb code 1q4w). 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 2,6-Diamino-3H-Quinazolin-4- One, PDB code: 1q4w:

Zinc binding site 1 out of 1 in the Crystal Structure of Tgt in Complex with 2,6-Diamino-3H-Quinazolin-4- One


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 2,6-Diamino-3H-Quinazolin-4- One within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn400 b:16.5 occ:1.00 ND1 A:HIS349 2.2 11.4 1.0 SG A:CYS323 2.3 14.7 1.0 SG A:CYS318 2.4 16.5 1.0 SG A:CYS320 2.4 13.2 1.0 CE1 A:HIS349 3.0 12.4 1.0 CB A:CYS323 3.3 12.4 1.0 CG A:HIS349 3.3 12.8 1.0 CB A:CYS318 3.4 16.0 1.0 CB A:CYS320 3.4 12.2 1.0 CB A:HIS349 3.8 12.9 1.0 N A:CYS323 3.9 14.2 1.0 CA A:HIS349 4.1 10.1 1.0 N A:CYS320 4.2 14.8 1.0 CA A:CYS323 4.2 13.7 1.0 NE2 A:HIS349 4.2 11.3 1.0 CA A:CYS320 4.2 13.9 1.0 CD2 A:HIS349 4.4 13.7 1.0 O A:HIS349 4.5 9.7 1.0 O A:CYS320 4.6 13.7 1.0 CA A:CYS318 4.6 17.4 1.0 C A:CYS318 4.7 17.2 1.0 C A:CYS320 4.7 13.9 1.0 O A:CYS318 4.7 16.0 1.0 C A:HIS349 4.8 10.5 1.0 CB A:VAL322 4.8 11.4 1.0 C A:VAL322 5.0 13.8 1.0

R.Brenk, E.Meyer, K.Reuter, M.T.Stubbs, G.A.Garcia, F.Diederich, G.Klebe. Crystallographic Study of Inhibitors of Trna-Guanine Transglycosylase Suggests A New Structure-Based Pharmacophore For Virtual Screening. J.Mol.Biol. V. 338 55 2004.
ISSN: ISSN 0022-2836
PubMed: 15050823
DOI: 10.1016/J.JMB.2004.02.019