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 / R_free (%)*	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

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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: Fri Jul 11 20:43:02 2025

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