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Zinc in PDB 6ygs: Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-2-(Methylamino)-4-(4-(Trifluoromethyl)Phenethyl)-3,7-Dihydro- 8H-Imidazo[4,5-G]Quinazolin-8-One

Enzymatic activity of Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-2-(Methylamino)-4-(4-(Trifluoromethyl)Phenethyl)-3,7-Dihydro- 8H-Imidazo[4,5-G]Quinazolin-8-One

All present enzymatic activity of Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-2-(Methylamino)-4-(4-(Trifluoromethyl)Phenethyl)-3,7-Dihydro- 8H-Imidazo[4,5-G]Quinazolin-8-One:
2.4.2.29;

Protein crystallography data

The structure of Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-2-(Methylamino)-4-(4-(Trifluoromethyl)Phenethyl)-3,7-Dihydro- 8H-Imidazo[4,5-G]Quinazolin-8-One, PDB code: 6ygs was solved by A.Nguyen, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.39 / 1.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 84.974, 64.822, 71.464, 90.00, 93.87, 90.00
R / Rfree (%) 13.5 / 16.4

Other elements in 6ygs:

The structure of Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-2-(Methylamino)-4-(4-(Trifluoromethyl)Phenethyl)-3,7-Dihydro- 8H-Imidazo[4,5-G]Quinazolin-8-One also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-2-(Methylamino)-4-(4-(Trifluoromethyl)Phenethyl)-3,7-Dihydro- 8H-Imidazo[4,5-G]Quinazolin-8-One (pdb code 6ygs). 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 Co-Crystallized Complex with 6- Amino-2-(Methylamino)-4-(4-(Trifluoromethyl)Phenethyl)-3,7-Dihydro- 8H-Imidazo[4,5-G]Quinazolin-8-One, PDB code: 6ygs:

Zinc binding site 1 out of 1 in 6ygs

Go back to Zinc Binding Sites List in 6ygs
Zinc binding site 1 out of 1 in the Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-2-(Methylamino)-4-(4-(Trifluoromethyl)Phenethyl)-3,7-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 Co-Crystallized Complex with 6- Amino-2-(Methylamino)-4-(4-(Trifluoromethyl)Phenethyl)-3,7-Dihydro- 8H-Imidazo[4,5-G]Quinazolin-8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:19.9
occ:1.00
 ND1 A:HIS349 2.1 16.3 1.0
SG A:CYS323 2.3 19.9 1.0
SG A:CYS320 2.3 21.5 1.0
SG A:CYS318 2.3 21.4 1.0
CE1 A:HIS349 2.9 17.2 1.0
HE1 A:HIS349 3.0 20.7 1.0
HB3 A:CYS318 3.0 26.5 1.0
HB2 A:CYS323 3.0 26.0 1.0
HB3 A:CYS320 3.1 28.6 1.0
CB A:CYS318 3.2 22.1 1.0
CB A:CYS323 3.3 21.7 1.0
CG A:HIS349 3.3 16.5 1.0
H A:CYS323 3.3 26.9 1.0
CB A:CYS320 3.3 23.8 1.0
HB2 A:HIS349 3.4 21.2 1.0
H A:CYS320 3.5 30.8 1.0
HA A:HIS349 3.6 20.8 1.0
HB2 A:CYS318 3.6 26.5 1.0
CB A:HIS349 3.7 17.7 1.0
HB A:VAL322 3.9 25.9 1.0
N A:CYS323 3.9 22.4 1.0
HB3 A:CYS323 4.0 26.0 1.0
HB2 A:CYS320 4.1 28.6 1.0
N A:CYS320 4.1 25.7 1.0
NE2 A:HIS349 4.1 16.8 1.0
CA A:HIS349 4.1 17.4 1.0
HB2 A:LEU314 4.1 20.1 1.0
CA A:CYS320 4.2 24.8 1.0
CA A:CYS323 4.2 22.6 1.0
CD2 A:HIS349 4.3 16.3 1.0
HB3 A:ASP315 4.5 24.9 1.0
HD12 A:LEU314 4.5 21.1 1.0
HE22 A:GLN356 4.5 30.6 1.0
H A:ASP315 4.5 21.4 1.0
O A:HIS349 4.5 17.1 1.0
HB3 A:ALA352 4.5 26.1 1.0
CA A:CYS318 4.6 24.3 1.0
HA A:CYS323 4.6 27.1 1.0
C A:CYS320 4.6 25.3 1.0
HB3 A:HIS349 4.6 21.2 1.0
O A:CYS320 4.7 24.5 1.0
C A:CYS318 4.7 25.8 1.0
C A:HIS349 4.8 17.4 1.0
O A:CYS318 4.8 26.5 1.0
H A:VAL322 4.8 28.8 1.0
CB A:VAL322 4.8 21.5 1.0
HE2 A:HIS349 4.9 20.2 1.0
C A:VAL322 5.0 22.7 1.0

Reference:

A.Nguyen, A.Heine, G.Klebe. Co-Crystallization and 19F uc(Nmr) Reveal Dimer Disturbing Inhibitors and Conformational Changes at Dimer Contacts To Be Published.
Page generated: Tue Oct 29 11:31:41 2024

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