Zinc in PDB 3rr4: Trna-Guanine Transglycosylase in Complex with N-Methyl-Lin- Benzoguanine Inhibitor

All present enzymatic activity of Trna-Guanine Transglycosylase in Complex with N-Methyl-Lin- Benzoguanine Inhibitor:
2.4.2.29;

The structure of Trna-Guanine Transglycosylase in Complex with N-Methyl-Lin- Benzoguanine Inhibitor, PDB code: 3rr4 was solved by G.Klebe, F.Immekus, A.Heine, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.68
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.671, 64.754, 70.457, 90.00, 95.99, 90.00
R / Rfree (%)	16 / 20

The binding sites of Zinc atom in the Trna-Guanine Transglycosylase in Complex with N-Methyl-Lin- Benzoguanine Inhibitor (pdb code 3rr4). 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 in Complex with N-Methyl-Lin- Benzoguanine Inhibitor, PDB code: 3rr4:

Zinc binding site 1 out of 1 in the Trna-Guanine Transglycosylase in Complex with N-Methyl-Lin- Benzoguanine Inhibitor


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 in Complex with N-Methyl-Lin- Benzoguanine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:12.8 occ:1.00 ND1 A:HIS349 2.2 12.2 1.0 SG A:CYS318 2.3 14.7 1.0 SG A:CYS320 2.3 12.4 1.0 SG A:CYS323 2.3 12.2 1.0 CE1 A:HIS349 3.0 15.7 1.0 CB A:CYS318 3.2 17.9 1.0 CB A:CYS323 3.3 11.4 1.0 CG A:HIS349 3.3 10.9 1.0 CB A:CYS320 3.4 10.1 1.0 CB A:HIS349 3.8 10.7 1.0 N A:CYS323 3.9 12.6 1.0 N A:CYS320 4.0 15.4 1.0 CA A:HIS349 4.1 12.8 1.0 NE2 A:HIS349 4.2 11.1 1.0 CA A:CYS320 4.2 13.9 1.0 CA A:CYS323 4.2 13.2 1.0 CD2 A:HIS349 4.4 12.0 1.0 CA A:CYS318 4.5 18.5 1.0 O A:HIS349 4.6 10.8 1.0 C A:CYS320 4.6 10.7 1.0 C A:CYS318 4.7 15.4 1.0 O A:CYS320 4.7 10.7 1.0 C A:HIS349 4.8 12.4 1.0 CB A:VAL322 4.8 8.4 1.0 O A:CYS318 4.8 17.8 1.0 C A:VAL322 4.9 12.9 1.0

L.J.Barandun, F.Immekus, P.C.Kohler, S.Tonazzi, B.Wagner, S.Wendelspiess, T.Ritschel, A.Heine, M.Kansy, G.Klebe, F.Diederich. From Lin-Benzoguanines to Lin-Benzohypoxanthines As Ligands For Zymomonas Mobilis Trna-Guanine Transglycosylase: Replacement of Protein-Ligand Hydrogen Bonding By Importing Water Clusters. Chemistry V. 18 9246 2012.
ISSN: ISSN 0947-6539
PubMed: 22736391
DOI: 10.1002/CHEM.201200809