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Zinc in PDB 6yh1: Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan 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) Labeled with 5-Fluorotryptophan 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) Labeled with 5-Fluorotryptophan 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) Labeled with 5-Fluorotryptophan 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: 6yh1 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) 42.96 / 1.55
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 85.872, 65.286, 71.982, 90.00, 94.04, 90.00
R / Rfree (%) 13.3 / 16.7

Other elements in 6yh1:

The structure of Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan 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) 10 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan 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 6yh1). 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) Labeled with 5-Fluorotryptophan 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: 6yh1:

Zinc binding site 1 out of 1 in 6yh1

Go back to Zinc Binding Sites List in 6yh1
Zinc binding site 1 out of 1 in the Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan 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) Labeled with 5-Fluorotryptophan 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:24.6
occ:1.00
 ND1 A:HIS349 2.3 22.6 1.0
SG A:CYS323 2.3 23.8 1.0
SG A:CYS318 2.4 28.0 1.0
SG A:CYS320 2.4 28.4 1.0
HB3 A:CYS318 3.0 33.9 1.0
HB2 A:CYS323 3.0 30.8 1.0
CE1 A:HIS349 3.1 22.2 1.0
HE1 A:HIS349 3.1 26.7 1.0
HB3 A:CYS320 3.1 35.8 1.0
CB A:CYS318 3.2 28.2 1.0
CB A:CYS323 3.3 25.7 1.0
CB A:CYS320 3.4 29.8 1.0
H A:CYS323 3.4 31.3 1.0
CG A:HIS349 3.4 21.6 1.0
HB2 A:HIS349 3.4 27.3 1.0
H A:CYS320 3.5 41.2 1.0
HB2 A:CYS318 3.6 33.9 1.0
HA A:HIS349 3.6 27.1 1.0
CB A:HIS349 3.8 22.7 1.0
HB A:VAL322 3.9 29.5 1.0
HB3 A:CYS323 4.0 30.8 1.0
N A:CYS323 4.0 26.0 1.0
HB2 A:CYS320 4.1 35.8 1.0
N A:CYS320 4.2 34.3 1.0
CA A:HIS349 4.2 22.6 1.0
HB2 A:LEU314 4.2 24.5 1.0
CA A:CYS320 4.2 32.2 1.0
CA A:CYS323 4.2 27.3 1.0
NE2 A:HIS349 4.3 21.4 1.0
HB3 A:ALA352 4.4 32.8 1.0
CD2 A:HIS349 4.4 20.8 1.0
HD12 A:LEU314 4.5 24.4 1.0
HB3 A:ASP315 4.5 31.3 1.0
HE22 A:GLN356 4.5 38.0 1.0
H A:ASP315 4.6 26.2 1.0
CA A:CYS318 4.6 31.0 1.0
O A:HIS349 4.6 21.8 1.0
HA A:CYS323 4.6 32.8 1.0
C A:CYS320 4.7 31.9 1.0
C A:CYS318 4.7 32.7 1.0
HB3 A:HIS349 4.7 27.3 1.0
O A:CYS320 4.7 31.3 1.0
C A:HIS349 4.8 22.4 1.0
O A:CYS318 4.9 32.5 1.0
CB A:VAL322 4.9 24.6 1.0
H A:VAL322 4.9 34.4 1.0
HE2 A:HIS349 5.0 25.8 1.0

Reference:

A.Nguyen, A.Heine, G.Klebe. Co-Crystallization, Nanoesi-Ms and 19F uc(Nmr) Reveal Dimer Disturbing Inhibitors and Conformational Changes at Dimer Contacts To Be Published.
Page generated: Tue Oct 29 11:32:52 2024

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