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Zinc in PDB 6yiq: Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One

Enzymatic activity of Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One

All present enzymatic activity of Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-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 (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One, PDB code: 6yiq 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) 43.56 / 1.58
Space group P 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 70.959, 64.877, 87.456, 90.00, 94.99, 90.00
R / Rfree (%) 16 / 20.2

Zinc Binding Sites:

The binding sites of Zinc atom in the Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One (pdb code 6yiq). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One, PDB code: 6yiq:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 6yiq

Go back to Zinc Binding Sites List in 6yiq
Zinc binding site 1 out of 2 in the Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-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 (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:21.5
occ:0.88
 ND1 A:HIS349 2.2 20.1 1.0
SG A:CYS318 2.3 26.9 1.0
SG A:CYS320 2.3 24.9 1.0
SG A:CYS323 2.3 27.1 1.0
CE1 A:HIS349 3.0 22.2 1.0
HB3 A:CYS318 3.0 31.6 1.0
HE1 A:HIS349 3.0 26.6 1.0
HB2 A:CYS323 3.1 33.4 1.0
HB3 A:CYS320 3.1 32.3 1.0
H A:CYS323 3.2 30.7 1.0
CB A:CYS318 3.2 26.3 1.0
CB A:CYS323 3.3 27.8 1.0
CB A:CYS320 3.3 26.9 1.0
CG A:HIS349 3.4 17.7 1.0
H A:CYS320 3.5 36.7 1.0
HB2 A:HIS349 3.5 20.2 1.0
HA A:HIS349 3.6 21.1 1.0
HB2 A:CYS318 3.6 31.6 1.0
HB A:VAL322 3.8 34.5 1.0
CB A:HIS349 3.8 16.9 1.0
N A:CYS323 3.9 25.6 1.0
HB3 A:CYS323 4.0 33.4 1.0
HB2 A:CYS320 4.1 32.3 1.0
N A:CYS320 4.1 30.6 1.0
HB2 A:LEU314 4.2 27.7 1.0
CA A:HIS349 4.2 17.6 1.0
CA A:CYS320 4.2 28.9 1.0
NE2 A:HIS349 4.2 20.4 1.0
CA A:CYS323 4.2 28.4 1.0
HE22 A:GLN356 4.4 37.7 1.0
CD2 A:HIS349 4.4 19.4 1.0
HB3 A:ALA352 4.5 24.4 1.0
HB3 A:ASP315 4.5 34.7 1.0
H A:ASP315 4.5 30.4 1.0
O A:HIS349 4.6 18.8 1.0
CA A:CYS318 4.6 29.9 1.0
HD12 A:LEU314 4.6 24.9 1.0
O A:CYS320 4.6 28.0 1.0
C A:CYS320 4.6 29.7 1.0
HA A:CYS323 4.6 34.1 1.0
C A:CYS318 4.7 30.6 1.0
CB A:VAL322 4.7 28.8 1.0
HB3 A:HIS349 4.7 20.2 1.0
H A:VAL322 4.8 33.8 1.0
C A:HIS349 4.8 17.5 1.0
O A:CYS318 4.8 29.5 1.0
HE2 A:HIS349 4.9 24.5 1.0
C A:VAL322 5.0 27.1 1.0

Zinc binding site 2 out of 2 in 6yiq

Go back to Zinc Binding Sites List in 6yiq
Zinc binding site 2 out of 2 in the Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-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 2 of Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn401

b:19.6
occ:1.00
 ND1 B:HIS349 2.2 18.3 1.0
SG B:CYS320 2.3 18.1 1.0
SG B:CYS318 2.3 21.1 1.0
SG B:CYS323 2.3 19.2 1.0
HB3 B:CYS318 2.9 28.1 1.0
CE1 B:HIS349 3.0 19.4 1.0
HB2 B:CYS323 3.0 20.7 1.0
HE1 B:HIS349 3.0 23.3 1.0
HB3 B:CYS320 3.2 23.2 1.0
CB B:CYS318 3.2 23.4 1.0
CB B:CYS323 3.3 17.2 1.0
CG B:HIS349 3.3 16.6 1.0
H B:CYS323 3.3 23.2 1.0
CB B:CYS320 3.4 19.3 1.0
HB2 B:HIS349 3.4 18.4 1.0
H B:CYS320 3.5 28.3 1.0
HA B:HIS349 3.6 17.5 1.0
HB2 B:CYS318 3.6 28.1 1.0
CB B:HIS349 3.8 15.3 1.0
HB B:VAL322 3.9 22.4 1.0
N B:CYS323 3.9 19.3 1.0
HB3 B:CYS323 4.0 20.7 1.0
HB2 B:CYS320 4.1 23.2 1.0
N B:CYS320 4.1 23.6 1.0
CA B:HIS349 4.2 14.6 1.0
HB2 B:LEU314 4.2 22.2 1.0
NE2 B:HIS349 4.2 18.1 1.0
CA B:CYS323 4.2 19.2 1.0
CA B:CYS320 4.2 21.6 1.0
CD2 B:HIS349 4.3 17.5 1.0
HE22 B:GLN356 4.4 35.8 1.0
HB3 B:ALA352 4.5 21.0 1.0
HD12 B:LEU314 4.5 22.0 1.0
HB3 B:ASP315 4.5 31.1 1.0
CA B:CYS318 4.5 23.7 1.0
O B:HIS349 4.6 16.7 1.0
HA B:CYS323 4.6 23.0 1.0
H B:ASP315 4.6 25.3 1.0
C B:CYS320 4.7 20.8 1.0
O B:CYS320 4.7 20.0 1.0
HB3 B:HIS349 4.7 18.4 1.0
C B:CYS318 4.7 24.3 1.0
C B:HIS349 4.8 15.6 1.0
H B:VAL322 4.8 23.1 1.0
CB B:VAL322 4.8 18.7 1.0
O B:CYS318 4.9 24.8 1.0
HE2 B:HIS349 4.9 21.7 1.0
C B:VAL322 5.0 19.6 1.0
HA B:CYS318 5.0 28.4 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 15:07:44 2024

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