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Chlorine 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:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine 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:

Chlorine binding site 1 out of 1 in 5jxq

Go back to Chlorine Binding Sites List in 5jxq
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl406

b:19.3
occ:1.00
 O A:HOH685 2.9 35.3 1.0
OG1 A:THR285 3.0 14.0 1.0
O A:HOH579 3.1 17.5 1.0
NH2 A:ARG289 3.3 17.0 1.0
O A:HOH751 3.5 38.9 1.0
CB A:THR285 3.6 13.4 1.0
O A:HOH759 3.7 39.8 1.0
N A:ARG286 3.7 14.1 1.0
NH1 A:ARG289 3.9 19.6 1.0
CB A:VAL282 3.9 18.6 1.0
CD A:LYS52 4.0 17.8 1.0
CB A:ARG286 4.0 17.8 1.0
CZ A:ARG289 4.1 17.9 1.0
CG1 A:VAL282 4.1 20.4 1.0
CA A:ARG286 4.1 15.7 1.0
O A:VAL282 4.1 16.0 1.0
CE A:LYS52 4.2 19.6 1.0
C A:THR285 4.3 14.0 1.0
CG A:LYS52 4.4 14.8 1.0
CA A:VAL282 4.5 15.1 1.0
CA A:THR285 4.5 13.7 1.0
CG2 A:THR285 4.7 15.1 1.0
CB A:LYS52 4.8 14.0 1.0
NE A:ARG286 4.8 29.2 1.0
C A:VAL282 4.8 14.6 1.0
O A:HOH634 5.0 14.5 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: Sat Dec 12 11:54:59 2020

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