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Chlorine in PDB 5i02: Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-4-{2-[(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-1,7- Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One

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

All present enzymatic activity of Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-4-{2-[(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-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 Co-Crystallized Complex with 6- Amino-4-{2-[(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-1,7- Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One, PDB code: 5i02 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) 42.15 / 1.25
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 84.516, 64.774, 71.358, 90.00, 94.05, 90.00
R / Rfree (%) 13.7 / 15.8

Other elements in 5i02:

The structure of Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-4-{2-[(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-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 Co-Crystallized Complex with 6- Amino-4-{2-[(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-1,7- Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One (pdb code 5i02). 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 6- Amino-4-{2-[(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-1,7- Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One, PDB code: 5i02:

Chlorine binding site 1 out of 1 in 5i02

Go back to Chlorine Binding Sites List in 5i02
Chlorine binding site 1 out of 1 in the Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-4-{2-[(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-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 Co-Crystallized Complex with 6- Amino-4-{2-[(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-1,7- Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:14.8
occ:1.00
 O A:HOH658 3.1 17.0 1.0
NE2 A:GLN107 3.1 17.8 1.0
O A:HOH561 3.1 12.5 1.0
N A:TYR72 3.4 12.9 1.0
CA A:GLY104 3.6 16.8 1.0
CB A:THR71 3.7 12.3 1.0
CB A:ASP102 3.8 11.7 1.0
N A:THR71 3.8 12.7 1.0
N A:GLY104 3.8 13.4 1.0
CB A:TYR72 3.8 16.9 1.0
CG A:GLN107 4.0 18.9 1.0
CD A:GLN107 4.1 19.1 1.0
CA A:THR71 4.1 12.5 1.0
OD1 A:ASN70 4.2 15.2 1.0
CA A:TYR72 4.2 14.2 1.0
CB A:GLN107 4.2 19.2 1.0
C A:THR71 4.2 12.9 1.0
C23 A:PK2402 4.4 14.6 1.0
C A:ASP102 4.4 10.5 1.0
O A:ASP102 4.4 11.4 1.0
OG1 A:THR71 4.4 12.8 1.0
CG A:ASP102 4.5 10.7 1.0
C A:GLY104 4.5 19.7 1.0
CA A:ASP102 4.5 11.0 1.0
OD2 A:ASP102 4.6 11.7 1.0
C A:ASN70 4.6 12.5 1.0
O A:GLY104 4.7 20.4 1.0
CG2 A:THR71 4.7 14.2 1.0
N A:ASP102 4.9 10.6 1.0
N A:SER103 4.9 11.0 1.0
C A:SER103 4.9 11.9 1.0
CA A:ASN70 4.9 12.7 1.0

Reference:

F.R.Ehrmann, J.Stojko, A.Heine, F.Diederich, K.Reuter, S.Sanglier-Cianferani, G.Klebe. Co-Crystallization, Isothermal Titration Calorimetry and Nanoesi-Ms Reveal Dimer Disturbing Inhibitors To Be Published.
Page generated: Fri Jul 26 09:04:30 2024

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