Zinc in PDB 4kwo: Trna Guanine Transglycosylase (Tgt) in Complex with Furanoside-Based Lin-Benzoguanine 3

All present enzymatic activity of Trna Guanine Transglycosylase (Tgt) in Complex with Furanoside-Based Lin-Benzoguanine 3:
2.4.2.29;

The structure of Trna Guanine Transglycosylase (Tgt) in Complex with Furanoside-Based Lin-Benzoguanine 3, PDB code: 4kwo was solved by F.R.Ehrmann, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.00 / 1.32
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	85.160, 65.047, 71.411, 90.00, 94.02, 90.00
R / Rfree (%)	14.6 / 16.3

The binding sites of Zinc atom in the Trna Guanine Transglycosylase (Tgt) in Complex with Furanoside-Based Lin-Benzoguanine 3 (pdb code 4kwo). 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 Trna Guanine Transglycosylase (Tgt) in Complex with Furanoside-Based Lin-Benzoguanine 3, PDB code: 4kwo:

Zinc binding site 1 out of 1 in the Trna Guanine Transglycosylase (Tgt) in Complex with Furanoside-Based Lin-Benzoguanine 3


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Trna Guanine Transglycosylase (Tgt) in Complex with Furanoside-Based Lin-Benzoguanine 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:17.4 occ:0.83 ND1 A:HIS349 2.1 16.1 1.0 SG A:CYS320 2.3 21.1 1.0 SG A:CYS323 2.3 19.3 1.0 SG A:CYS318 2.3 21.5 1.0 CE1 A:HIS349 2.9 16.9 1.0 CB A:CYS323 3.3 20.7 1.0 CB A:CYS318 3.3 23.1 1.0 CG A:HIS349 3.3 15.3 1.0 CB A:CYS320 3.4 22.3 1.0 CB A:HIS349 3.8 16.3 1.0 N A:CYS323 3.9 21.8 1.0 NE2 A:HIS349 4.1 16.3 1.0 N A:CYS320 4.1 25.1 1.0 CA A:HIS349 4.2 15.8 1.0 CA A:CYS323 4.2 22.2 1.0 CA A:CYS320 4.2 23.9 1.0 CD2 A:HIS349 4.3 15.8 1.0 O A:HIS349 4.6 15.5 1.0 CA A:CYS318 4.6 25.1 1.0 C A:CYS318 4.7 26.0 1.0 O A:CYS320 4.7 24.6 1.0 C A:CYS320 4.7 24.8 1.0 CB A:VAL322 4.8 21.9 1.0 C A:HIS349 4.8 15.2 1.0 O A:CYS318 4.8 26.8 1.0 C A:VAL322 5.0 22.6 1.0

L.J.Barandun, F.R.Ehrmann, D.Zimmerli, F.Immekus, M.Giroud, C.Grunenfelder, W.B.Schweizer, B.Bernet, M.Betz, A.Heine, G.Klebe, F.Diederich. Replacement of Water Molecules in A Phosphate Binding Site By Furanoside-Appended Lin-Benzoguanine Ligands of Trna-Guanine Transglycosylase (Tgt). Chemistry 2014.
ISSN: ISSN 0947-6539
PubMed: 25483606
DOI: 10.1002/CHEM.201405764