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Zinc in PDB 6yhe: Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-4-(2-((3AR,4R,6R,6AR)-6-Methoxy- 2,2-Dimethyltetrahydrofuro[3,4-D][1,3]Dioxol-4-Yl)Ethyl)-2- (Methylamino)-1H-Imidazo[4,5-G]Quinazolin-8(7H)-One

Enzymatic activity of Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-4-(2-((3AR,4R,6R,6AR)-6-Methoxy- 2,2-Dimethyltetrahydrofuro[3,4-D][1,3]Dioxol-4-Yl)Ethyl)-2- (Methylamino)-1H-Imidazo[4,5-G]Quinazolin-8(7H)-One

All present enzymatic activity of Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-4-(2-((3AR,4R,6R,6AR)-6-Methoxy- 2,2-Dimethyltetrahydrofuro[3,4-D][1,3]Dioxol-4-Yl)Ethyl)-2- (Methylamino)-1H-Imidazo[4,5-G]Quinazolin-8(7H)-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-4-(2-((3AR,4R,6R,6AR)-6-Methoxy- 2,2-Dimethyltetrahydrofuro[3,4-D][1,3]Dioxol-4-Yl)Ethyl)-2- (Methylamino)-1H-Imidazo[4,5-G]Quinazolin-8(7H)-One, PDB code: 6yhe 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) 42.63 / 1.54
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 84.657, 64.820, 71.808, 90.00, 93.96, 90.00
R / Rfree (%) 14.9 / 18.3

Other elements in 6yhe:

The structure of Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-4-(2-((3AR,4R,6R,6AR)-6-Methoxy- 2,2-Dimethyltetrahydrofuro[3,4-D][1,3]Dioxol-4-Yl)Ethyl)-2- (Methylamino)-1H-Imidazo[4,5-G]Quinazolin-8(7H)-One also contains other interesting chemical elements:

Fluorine (F) 4 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-4-(2-((3AR,4R,6R,6AR)-6-Methoxy- 2,2-Dimethyltetrahydrofuro[3,4-D][1,3]Dioxol-4-Yl)Ethyl)-2- (Methylamino)-1H-Imidazo[4,5-G]Quinazolin-8(7H)-One (pdb code 6yhe). 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-4-(2-((3AR,4R,6R,6AR)-6-Methoxy- 2,2-Dimethyltetrahydrofuro[3,4-D][1,3]Dioxol-4-Yl)Ethyl)-2- (Methylamino)-1H-Imidazo[4,5-G]Quinazolin-8(7H)-One, PDB code: 6yhe:

Zinc binding site 1 out of 1 in 6yhe

Go back to Zinc Binding Sites List in 6yhe
Zinc binding site 1 out of 1 in the Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-4-(2-((3AR,4R,6R,6AR)-6-Methoxy- 2,2-Dimethyltetrahydrofuro[3,4-D][1,3]Dioxol-4-Yl)Ethyl)-2- (Methylamino)-1H-Imidazo[4,5-G]Quinazolin-8(7H)-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-4-(2-((3AR,4R,6R,6AR)-6-Methoxy- 2,2-Dimethyltetrahydrofuro[3,4-D][1,3]Dioxol-4-Yl)Ethyl)-2- (Methylamino)-1H-Imidazo[4,5-G]Quinazolin-8(7H)-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:27.7
occ:0.81
 SG A:CYS323 2.2 31.7 1.0
ND1 A:HIS349 2.3 25.6 1.0
SG A:CYS318 2.3 33.5 1.0
SG A:CYS320 2.4 35.5 1.0
HB3 A:CYS318 2.9 41.4 1.0
HE1 A:HIS349 3.0 32.0 1.0
CE1 A:HIS349 3.0 26.7 1.0
HB2 A:CYS323 3.1 41.6 1.0
CB A:CYS318 3.1 34.5 1.0
HB3 A:CYS320 3.2 42.4 1.0
H A:CYS323 3.2 43.9 1.0
CB A:CYS323 3.3 34.6 1.0
CB A:CYS320 3.4 35.3 1.0
CG A:HIS349 3.4 24.8 1.0
HB2 A:CYS318 3.5 41.4 1.0
H A:CYS320 3.5 45.5 1.0
HB2 A:HIS349 3.6 30.7 1.0
HA A:HIS349 3.6 31.2 1.0
HB A:VAL322 3.7 42.8 1.0
N A:CYS323 3.9 36.6 1.0
CB A:HIS349 3.9 25.6 1.0
HB3 A:CYS323 4.0 41.6 1.0
HB2 A:LEU314 4.1 34.8 1.0
HB2 A:CYS320 4.1 42.4 1.0
N A:CYS320 4.2 37.9 1.0
CA A:CYS323 4.2 36.6 1.0
NE2 A:HIS349 4.2 25.1 1.0
CA A:CYS320 4.3 37.2 1.0
CA A:HIS349 4.3 26.0 1.0
H A:ASP315 4.4 38.3 1.0
HE22 A:GLN356 4.4 46.3 1.0
CD2 A:HIS349 4.4 24.9 1.0
HB3 A:ASP315 4.4 43.9 1.0
CA A:CYS318 4.5 37.7 1.0
HD12 A:LEU314 4.6 33.0 1.0
HB3 A:ALA352 4.6 35.0 1.0
HA A:CYS323 4.6 44.0 1.0
O A:CYS320 4.6 40.5 1.0
O A:HIS349 4.6 24.6 1.0
C A:CYS320 4.6 39.6 1.0
CB A:VAL322 4.7 35.6 1.0
H A:VAL322 4.7 43.7 1.0
C A:CYS318 4.7 38.8 1.0
HB3 A:HIS349 4.9 30.7 1.0
O A:CYS318 4.9 39.1 1.0
C A:HIS349 4.9 24.7 1.0
HE2 A:HIS349 4.9 30.1 1.0
HA A:CYS318 4.9 45.2 1.0
C A:VAL322 4.9 36.4 1.0
CB A:LEU314 5.0 29.0 1.0

Reference:

A.Nguyen, A.Heine, G.Klebe. Co-Crystallization, 19F uc(Nmr) and Nanoesi-Ms Reveal Dimer Disturbing Inhibitors and Conformational Changes at Dimer Contacts To Be Published.
Page generated: Tue Oct 29 15:07:00 2024

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