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Chlorine in PDB 4q8t: Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-2-[(2- Phenylethyl)Amino]-1H,7H,8H-Imidazo[4,5-G]Quinazolin-8-One

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

All present enzymatic activity of Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-2-[(2- Phenylethyl)Amino]-1H,7H,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-[(2- Phenylethyl)Amino]-1H,7H,8H-Imidazo[4,5-G]Quinazolin-8-One, PDB code: 4q8t 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) 29.82 / 1.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.233, 64.635, 70.964, 90.00, 93.16, 90.00
R / Rfree (%) 13.8 / 15.4

Other elements in 4q8t:

The structure of Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-2-[(2- Phenylethyl)Amino]-1H,7H,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-[(2- Phenylethyl)Amino]-1H,7H,8H-Imidazo[4,5-G]Quinazolin-8-One (pdb code 4q8t). 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-[(2- Phenylethyl)Amino]-1H,7H,8H-Imidazo[4,5-G]Quinazolin-8-One, PDB code: 4q8t:

Chlorine binding site 1 out of 1 in 4q8t

Go back to Chlorine Binding Sites List in 4q8t
Chlorine binding site 1 out of 1 in the Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-2-[(2- Phenylethyl)Amino]-1H,7H,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-[(2- Phenylethyl)Amino]-1H,7H,8H-Imidazo[4,5-G]Quinazolin-8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:20.9
occ:1.00
 O A:HOH742 2.9 45.7 1.0
OG1 A:THR285 3.0 16.3 1.0
O A:HOH516 3.2 18.9 1.0
O A:HOH716 3.3 36.8 1.0
NH1 A:ARG289 3.3 18.9 1.0
CB A:THR285 3.6 15.1 1.0
NH2 A:ARG289 3.7 21.9 1.0
N A:ARG286 3.8 15.3 1.0
CB A:VAL282 3.9 19.2 1.0
CZ A:ARG289 4.0 20.3 1.0
O A:HOH712 4.0 29.9 1.0
CD A:LYS52 4.0 19.3 1.0
O A:VAL282 4.1 18.2 1.0
CG1 A:VAL282 4.1 20.6 1.0
CB A:ARG286 4.1 16.9 0.5
CB A:ARG286 4.1 17.5 0.5
CE A:LYS52 4.2 21.8 1.0
CA A:ARG286 4.2 16.1 0.5
CA A:ARG286 4.2 16.3 0.5
C A:THR285 4.3 15.2 1.0
CG A:LYS52 4.4 16.4 1.0
CA A:VAL282 4.5 16.4 1.0
CA A:THR285 4.5 16.1 1.0
CG2 A:THR285 4.7 17.5 1.0
CB A:LYS52 4.7 15.0 1.0
C A:VAL282 4.7 16.8 1.0
NE A:ARG286 4.9 25.0 0.5
CG2 A:VAL282 5.0 20.3 1.0

Reference:

M.Neeb, C.Hohn, A.Heine, F.Diederich, G.Klebe. Addressing A New Subpocket of Tgt By Elongated 2-Amino-Lin-Benzoguanines To Be Published.
Page generated: Sat Dec 12 11:04:56 2020

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