Chlorine in PDB 4q4o: Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-2-{[2- (Piperidin-1-Yl)Ethyl]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- (Piperidin-1-Yl)Ethyl]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- (Piperidin-1-Yl)Ethyl]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- (Piperidin-1-Yl)Ethyl]Amino}-1H,7H,8H-Imidazo[4,5-G]Quinazolin-8-One, PDB code: 4q4o 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)*	27.13 / 1.35
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	89.823, 64.696, 70.711, 90.00, 93.41, 90.00
*R / R_free (%)*	13.7 / 16.2

Other elements in 4q4o:

The structure of Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-2-{[2- (Piperidin-1-Yl)Ethyl]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- (Piperidin-1-Yl)Ethyl]Amino}-1H,7H,8H-Imidazo[4,5-G]Quinazolin-8-One (pdb code 4q4o). 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- (Piperidin-1-Yl)Ethyl]Amino}-1H,7H,8H-Imidazo[4,5-G]Quinazolin-8-One, PDB code: 4q4o:

Chlorine binding site 1 out of 1 in 4q4o

Go back to

Chlorine Binding Sites List in 4q4o

Chlorine binding site 1 out of 1 in the Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-2-{[2- (Piperidin-1-Yl)Ethyl]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- (Piperidin-1-Yl)Ethyl]Amino}-1H,7H,8H-Imidazo[4,5-G]Quinazolin-8-One within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl405 b:21.8 occ:0.69	O	A:HOH654	2.9	35.4	1.0
	N4	A:2YM406	3.1	20.5	0.6
	N	A:VAL282	3.3	14.9	1.0
	CA	A:CYS281	3.5	14.1	0.4
	CA	A:CYS281	3.7	14.4	0.6
	C6	A:2YM406	3.7	16.3	1.0
	O	A:HOH583	3.7	23.7	1.0
	C12	A:2YM406	3.7	21.3	0.6
	CG2	A:VAL282	3.7	18.1	1.0
	CB	A:CYS281	3.8	16.3	0.4
	C7	A:2YM406	3.8	17.7	0.6
	C11	A:2YM406	3.8	22.2	0.6
	C8	A:2YM406	3.9	20.1	0.6
	C	A:CYS281	3.9	13.5	1.0
	SG	A:CYS281	4.0	17.5	0.6
	C9	A:2YM406	4.0	22.4	0.6
	CG1	A:VAL282	4.0	19.5	1.0
	O	A:GLY261	4.1	17.2	1.0
	CB	A:VAL282	4.2	16.9	1.0
	CA	A:GLY261	4.3	13.3	1.0
	CA	A:VAL282	4.3	15.1	1.0
	CB	A:CYS281	4.4	17.2	0.6
	C10	A:2YM406	4.5	22.4	0.6
	C	A:GLY261	4.5	14.7	1.0
	OD2	A:ASP280	4.6	17.0	1.0
	O	A:ASP280	4.7	14.5	1.0
	N	A:CYS281	4.7	13.0	1.0
	N3	A:2YM406	5.0	15.5	1.0

Reference:

M.Neeb, M.Betz, A.Heine, L.J.Barandun, C.Hohn, F.Diederich, G.Klebe. Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of A Flat Structure-Activity Relationship For Inhibition of A Trna-Modifying Enzyme. J.Med.Chem. V. 57 5566 2014.
ISSN: ISSN 0022-2623
PubMed: 24960372
DOI: 10.1021/JM5006868

Page generated: Fri Jul 26 00:17:52 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1

	© Copyright 2008-2020 by atomistry.com
Home \| Site Map \| Copyright \| Contact us \| Privacy