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Zinc in PDB 5i07: Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-4-(2-Phenylethyl)-1,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One

Enzymatic activity of Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-4-(2-Phenylethyl)-1,7-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-4-(2-Phenylethyl)-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 with 6- Amino-4-(2-Phenylethyl)-1,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One, PDB code: 5i07 was solved by F.R.Ehrmann, D.Nguyen, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.87 / 1.89
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 69.133, 78.854, 85.171, 90.00, 108.99, 90.00
R / Rfree (%) 19.1 / 22

Zinc Binding Sites:

The binding sites of Zinc atom in the Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-4-(2-Phenylethyl)-1,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One (pdb code 5i07). 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 with 6- Amino-4-(2-Phenylethyl)-1,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One, PDB code: 5i07:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 5i07

Go back to Zinc Binding Sites List in 5i07
Zinc binding site 1 out of 2 in the Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-4-(2-Phenylethyl)-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 with 6- Amino-4-(2-Phenylethyl)-1,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn404

b:19.6
occ:1.00
 ND1 A:HIS349 2.1 20.2 1.0
SG A:CYS323 2.3 21.9 1.0
SG A:CYS320 2.3 23.0 1.0
SG A:CYS318 2.3 21.5 1.0
CE1 A:HIS349 2.9 19.8 1.0
CG A:HIS349 3.3 19.7 1.0
CB A:CYS318 3.3 22.6 1.0
CB A:CYS323 3.3 25.4 1.0
CB A:CYS320 3.4 22.9 1.0
CB A:HIS349 3.7 19.2 1.0
N A:CYS323 3.9 21.4 1.0
NE2 A:HIS349 4.1 20.6 1.0
N A:CYS320 4.2 25.6 1.0
CA A:HIS349 4.2 21.4 1.0
CA A:CYS323 4.2 23.1 1.0
CA A:CYS320 4.2 24.1 1.0
CD2 A:HIS349 4.3 19.8 1.0
O A:HIS349 4.5 18.5 1.0
CA A:CYS318 4.6 24.0 1.0
C A:CYS320 4.7 27.4 1.0
O A:CYS320 4.7 27.2 1.0
C A:CYS318 4.7 25.5 1.0
CB A:VAL322 4.8 22.2 1.0
C A:HIS349 4.8 20.8 1.0
O A:CYS318 4.9 27.7 1.0
C A:VAL322 5.0 25.6 1.0

Zinc binding site 2 out of 2 in 5i07

Go back to Zinc Binding Sites List in 5i07
Zinc binding site 2 out of 2 in the Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-4-(2-Phenylethyl)-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 with 6- Amino-4-(2-Phenylethyl)-1,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn402

b:19.7
occ:1.00
 ND1 B:HIS349 2.1 21.3 1.0
SG B:CYS323 2.2 23.2 1.0
SG B:CYS318 2.2 22.3 1.0
SG B:CYS320 2.4 22.7 1.0
CE1 B:HIS349 2.9 21.0 1.0
CB B:CYS318 3.2 22.4 1.0
CG B:HIS349 3.3 18.4 1.0
CB B:CYS323 3.3 24.1 1.0
CB B:CYS320 3.4 22.2 1.0
CB B:HIS349 3.7 19.1 1.0
N B:CYS323 3.9 22.3 1.0
NE2 B:HIS349 4.1 20.6 1.0
N B:CYS320 4.2 26.9 1.0
CA B:HIS349 4.2 20.4 1.0
CA B:CYS323 4.2 22.6 1.0
CA B:CYS320 4.3 22.2 1.0
CD2 B:HIS349 4.3 17.4 1.0
O B:HIS349 4.5 19.0 1.0
CA B:CYS318 4.5 24.4 1.0
C B:CYS318 4.7 24.5 1.0
C B:CYS320 4.8 26.8 1.0
O B:CYS320 4.8 26.4 1.0
CB B:VAL322 4.8 20.8 1.0
C B:HIS349 4.8 19.0 1.0
O B:CYS318 4.8 25.7 1.0
C B:VAL322 5.0 22.4 1.0

Reference:

F.R.Ehrmann, J.Stojko, A.Heine, F.Diederich, K.Reiter, S.Sanglier-Cianferani, G.Klebe. Co-Crystallization, Isothermal Titration Calorimetry and Nanoesi-Ms Reveal Dimer Disturbing Inhibitors To Be Published.
Page generated: Sun Oct 27 17:44:56 2024

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