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Chlorine in PDB 5jgm: Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with Ethyl (2-(Methylamino)-8-Oxo-7,8-Dihydro-1H-Imidazo[4,5-G]Quinazolin- 6-Yl)Carbamate

Enzymatic activity of Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with Ethyl (2-(Methylamino)-8-Oxo-7,8-Dihydro-1H-Imidazo[4,5-G]Quinazolin- 6-Yl)Carbamate

All present enzymatic activity of Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with Ethyl (2-(Methylamino)-8-Oxo-7,8-Dihydro-1H-Imidazo[4,5-G]Quinazolin- 6-Yl)Carbamate:
2.4.2.29;

Protein crystallography data

The structure of Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with Ethyl (2-(Methylamino)-8-Oxo-7,8-Dihydro-1H-Imidazo[4,5-G]Quinazolin- 6-Yl)Carbamate, PDB code: 5jgm was solved by F.R.Ehrmann, D.Nguyen, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.85 / 1.38
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 91.182, 65.407, 71.064, 90.00, 96.64, 90.00
R / Rfree (%) 13.4 / 16.2

Other elements in 5jgm:

The structure of Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with Ethyl (2-(Methylamino)-8-Oxo-7,8-Dihydro-1H-Imidazo[4,5-G]Quinazolin- 6-Yl)Carbamate 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 Co-Crystallized Complex with Ethyl (2-(Methylamino)-8-Oxo-7,8-Dihydro-1H-Imidazo[4,5-G]Quinazolin- 6-Yl)Carbamate (pdb code 5jgm). 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 Co-Crystallized Complex with Ethyl (2-(Methylamino)-8-Oxo-7,8-Dihydro-1H-Imidazo[4,5-G]Quinazolin- 6-Yl)Carbamate, PDB code: 5jgm:

Chlorine binding site 1 out of 1 in 5jgm

Go back to Chlorine Binding Sites List in 5jgm
Chlorine binding site 1 out of 1 in the Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with Ethyl (2-(Methylamino)-8-Oxo-7,8-Dihydro-1H-Imidazo[4,5-G]Quinazolin- 6-Yl)Carbamate


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 Co-Crystallized Complex with Ethyl (2-(Methylamino)-8-Oxo-7,8-Dihydro-1H-Imidazo[4,5-G]Quinazolin- 6-Yl)Carbamate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl409

b:17.9
occ:1.00
 O A:HOH919 3.1 31.7 1.0
O A:HOH586 3.2 16.7 1.0
O A:HOH564 3.2 18.0 1.0
O A:HOH893 3.2 44.4 1.0
N A:VAL282 3.3 12.6 1.0
CA A:CYS281 3.6 12.5 0.2
CA A:CYS281 3.7 13.9 0.8
C8 A:810408 3.8 16.7 1.0
CG2 A:VAL282 3.8 15.3 1.0
CB A:CYS281 3.8 12.9 0.2
SG A:CYS281 3.9 15.8 0.8
CA A:GLY261 3.9 13.7 1.0
C A:CYS281 4.0 12.3 0.2
C A:CYS281 4.0 13.0 0.8
O A:GLY261 4.1 16.1 1.0
CG1 A:VAL282 4.2 16.8 1.0
CB A:VAL282 4.3 14.8 1.0
C A:GLY261 4.3 14.0 1.0
CA A:VAL282 4.4 12.7 1.0
CB A:CYS281 4.4 15.8 0.8
OD2 A:ASP280 4.8 14.1 1.0
N A:CYS281 4.8 13.0 0.8
O A:ASP280 4.8 14.3 1.0
N A:CYS281 4.8 12.6 0.2
O A:HOH795 4.8 20.7 1.0
O A:HOH862 5.0 55.4 1.0
O A:HOH646 5.0 16.9 1.0
N2 A:810408 5.0 15.6 1.0
N3 A:810408 5.0 16.6 1.0

Reference:

F.R.Ehrmann, C.Hohn, A.Heine, K.Reuter, F.Diederich, G.Klebe. Carbamate-Protected Lin-Benzoguanines As Promising Candidates For Improving Solubility and Membrane Permeability To Be Published.
Page generated: Fri Jul 26 10:01:56 2024

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