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Zinc in PDB 5jxq: Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-2-{[4-(2- Hydroxyethyl)Phenethyl]Amino}-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One

Enzymatic activity of Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-2-{[4-(2- Hydroxyethyl)Phenethyl]Amino}-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One

All present enzymatic activity of Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-2-{[4-(2- Hydroxyethyl)Phenethyl]Amino}-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One:
2.4.2.29;

Protein crystallography data

The structure of Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-2-{[4-(2- Hydroxyethyl)Phenethyl]Amino}-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One, PDB code: 5jxq was solved by M.Neeb, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 69.93 / 1.20
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.220, 64.760, 70.340, 90.00, 96.16, 90.00
R / Rfree (%) 13.7 / 15.7

Other elements in 5jxq:

The structure of Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-2-{[4-(2- Hydroxyethyl)Phenethyl]Amino}-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-2-{[4-(2- Hydroxyethyl)Phenethyl]Amino}-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One (pdb code 5jxq). 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 6-Amino-2-{[4-(2- Hydroxyethyl)Phenethyl]Amino}-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One, PDB code: 5jxq:

Zinc binding site 1 out of 1 in 5jxq

Go back to Zinc Binding Sites List in 5jxq
Zinc binding site 1 out of 1 in the Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-2-{[4-(2- Hydroxyethyl)Phenethyl]Amino}-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One


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 6-Amino-2-{[4-(2- Hydroxyethyl)Phenethyl]Amino}-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:13.2
occ:1.00
 ND1 A:HIS349 2.1 12.6 1.0
SG A:CYS323 2.3 13.8 1.0
SG A:CYS320 2.3 12.9 1.0
SG A:CYS318 2.3 15.4 1.0
CE1 A:HIS349 2.9 13.3 1.0
CG A:HIS349 3.2 12.4 1.0
CB A:CYS323 3.3 14.1 1.0
CB A:CYS318 3.3 16.0 1.0
CB A:CYS320 3.4 13.7 1.0
CB A:HIS349 3.7 12.2 1.0
N A:CYS323 3.9 13.4 1.0
N A:CYS320 4.1 15.4 1.0
CA A:HIS349 4.1 11.6 1.0
NE2 A:HIS349 4.1 13.7 1.0
CA A:CYS323 4.2 13.8 1.0
CA A:CYS320 4.2 14.2 1.0
CD2 A:HIS349 4.3 13.1 1.0
O A:HIS349 4.5 11.9 1.0
CA A:CYS318 4.6 16.2 1.0
O A:CYS320 4.6 14.2 1.0
C A:CYS318 4.6 17.2 1.0
C A:CYS320 4.6 13.6 1.0
C A:HIS349 4.8 11.1 1.0
O A:CYS318 4.8 17.9 1.0
CB A:VAL322 4.8 13.1 1.0
C A:VAL322 4.9 13.2 1.0

Reference:

M.Neeb, C.Hohn, F.R.Ehrmann, A.Hartsch, A.Heine, F.Diederich, G.Klebe. Occupying A Flat Subpocket in A Trna-Modifying Enzyme with Ordered or Disordered Side Chains: Favorable or Unfavorable For Binding? Bioorg.Med.Chem. V. 24 4900 2016.
ISSN: ESSN 1464-3391
PubMed: 27501913
DOI: 10.1016/J.BMC.2016.07.053
Page generated: Sun Oct 27 19:16:31 2024

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