Atomistry »
  Zinc »
    PDB 4q30-4q8u »
      4q4p »

Zinc in PDB 4q4p: Trna-Guanine Transglycosylase (Tgt) in Complex with 2-{[2-(Piperidin- 1-Yl)Ethyl]Amino}-3,5-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One

Enzymatic activity of Trna-Guanine Transglycosylase (Tgt) in Complex with 2-{[2-(Piperidin- 1-Yl)Ethyl]Amino}-3,5-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One

All present enzymatic activity of Trna-Guanine Transglycosylase (Tgt) in Complex with 2-{[2-(Piperidin- 1-Yl)Ethyl]Amino}-3,5-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 2-{[2-(Piperidin- 1-Yl)Ethyl]Amino}-3,5-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One, PDB code: 4q4p 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)*	27.19 / 1.54
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	89.985, 64.853, 70.741, 90.00, 93.32, 90.00
*R / R_free (%)*	15.2 / 17

Other elements in 4q4p:

The structure of Trna-Guanine Transglycosylase (Tgt) in Complex with 2-{[2-(Piperidin- 1-Yl)Ethyl]Amino}-3,5-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Trna-Guanine Transglycosylase (Tgt) in Complex with 2-{[2-(Piperidin- 1-Yl)Ethyl]Amino}-3,5-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One (pdb code 4q4p). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Trna-Guanine Transglycosylase (Tgt) in Complex with 2-{[2-(Piperidin- 1-Yl)Ethyl]Amino}-3,5-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One, PDB code: 4q4p:

Zinc binding site 1 out of 1 in 4q4p

Go back to

Zinc Binding Sites List in 4q4p

Zinc binding site 1 out of 1 in the Trna-Guanine Transglycosylase (Tgt) in Complex with 2-{[2-(Piperidin- 1-Yl)Ethyl]Amino}-3,5-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One

Mono view

Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Trna-Guanine Transglycosylase (Tgt) in Complex with 2-{[2-(Piperidin- 1-Yl)Ethyl]Amino}-3,5-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Zn401 b:16.7 occ:1.00	ND1	A:HIS349	2.1	14.5	1.0
	SG	A:CYS323	2.3	16.2	1.0
	SG	A:CYS318	2.3	17.8	1.0
	SG	A:CYS320	2.3	15.3	1.0
	CE1	A:HIS349	2.9	14.8	1.0
	CG	A:HIS349	3.3	13.8	1.0
	CB	A:CYS318	3.3	18.9	1.0
	CB	A:CYS323	3.3	16.5	1.0
	CB	A:CYS320	3.4	14.5	1.0
	CB	A:HIS349	3.7	14.0	1.0
	N	A:CYS323	3.9	15.0	1.0
	NE2	A:HIS349	4.1	15.1	1.0
	CA	A:HIS349	4.1	12.9	1.0
	N	A:CYS320	4.2	17.3	1.0
	CA	A:CYS323	4.2	16.4	1.0
	CA	A:CYS320	4.2	15.2	1.0
	CD2	A:HIS349	4.3	13.5	1.0
	O	A:HIS349	4.5	13.8	1.0
	CA	A:CYS318	4.6	18.9	1.0
	O	A:CYS320	4.6	17.8	1.0
	C	A:CYS320	4.7	18.1	1.0
	C	A:CYS318	4.7	19.3	1.0
	CB	A:VAL322	4.8	16.0	1.0
	C	A:HIS349	4.8	15.5	1.0
	O	A:CYS318	4.8	21.2	1.0
	C	A:VAL322	4.9	16.5	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: Wed Dec 16 05:42:33 2020

Last articles

Mg in 4Y52
Mg in 4Y30
Mg in 4Y2V
Mg in 4Y2X
Mg in 4Y2Y
Mg in 4Y2U
Mg in 4Y2T
Mg in 4Y2Q
Mg in 4Y2R
Mg in 4Y2S

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