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 / R_free (%)*	13.7 / 15.7

Other elements in 5jxq:

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

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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 Jul 12 03:48:20 2025

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