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Zinc in PDB 1y5x: Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-4-[2-(4- Methoxyphenyl)Ethyl]-1,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One

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

All present enzymatic activity of Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-4-[2-(4- Methoxyphenyl)Ethyl]-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 Complex with 6-Amino-4-[2-(4- Methoxyphenyl)Ethyl]-1,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One, PDB code: 1y5x was solved by B.Stengl, E.A.Meyer, A.Heine, R.Brenk, F.Diederich, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.84 / 2.10
Space group P 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 71.110, 64.210, 88.080, 90.00, 95.11, 90.00
R / Rfree (%) 22.1 / 25.5

Zinc Binding Sites:

The binding sites of Zinc atom in the Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-4-[2-(4- Methoxyphenyl)Ethyl]-1,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One (pdb code 1y5x). 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 Complex with 6-Amino-4-[2-(4- Methoxyphenyl)Ethyl]-1,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One, PDB code: 1y5x:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 1y5x

Go back to Zinc Binding Sites List in 1y5x
Zinc binding site 1 out of 2 in the Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-4-[2-(4- Methoxyphenyl)Ethyl]-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 Complex with 6-Amino-4-[2-(4- Methoxyphenyl)Ethyl]-1,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn400

b:27.3
occ:1.00
 ND1 A:HIS349 2.2 18.6 1.0
SG A:CYS320 2.3 22.7 1.0
SG A:CYS323 2.3 26.1 1.0
SG A:CYS318 2.4 26.2 1.0
CE1 A:HIS349 3.1 20.2 1.0
CB A:CYS318 3.1 29.6 1.0
CB A:CYS323 3.3 24.8 1.0
CG A:HIS349 3.3 20.6 1.0
CB A:CYS320 3.4 26.3 1.0
CB A:HIS349 3.7 19.3 1.0
N A:CYS323 3.9 25.7 1.0
CA A:HIS349 4.1 19.5 1.0
CA A:CYS323 4.2 25.6 1.0
N A:CYS320 4.2 32.5 1.0
NE2 A:HIS349 4.3 21.6 1.0
CA A:CYS320 4.3 26.8 1.0
CD2 A:HIS349 4.4 20.4 1.0
CA A:CYS318 4.5 31.8 1.0
O A:HIS349 4.6 20.5 1.0
O A:CYS320 4.6 26.6 1.0
C A:CYS318 4.6 32.7 1.0
C A:CYS320 4.7 27.1 1.0
CB A:VAL322 4.7 22.2 1.0
C A:HIS349 4.8 21.1 1.0
O A:CYS318 4.8 32.3 1.0
C A:VAL322 4.9 24.1 1.0
CB A:LEU314 5.0 24.5 1.0
O A:HOH2037 5.0 23.7 1.0

Zinc binding site 2 out of 2 in 1y5x

Go back to Zinc Binding Sites List in 1y5x
Zinc binding site 2 out of 2 in the Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-4-[2-(4- Methoxyphenyl)Ethyl]-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 Complex with 6-Amino-4-[2-(4- Methoxyphenyl)Ethyl]-1,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn1400

b:28.6
occ:1.00
 ND1 D:HIS1349 2.2 17.3 1.0
SG D:CYS1323 2.3 27.4 1.0
SG D:CYS1318 2.4 26.7 1.0
SG D:CYS1320 2.4 26.8 1.0
CE1 D:HIS1349 3.0 18.7 1.0
CB D:CYS1318 3.1 29.4 1.0
CB D:CYS1323 3.3 28.2 1.0
CG D:HIS1349 3.4 17.5 1.0
CB D:CYS1320 3.5 28.4 1.0
CB D:HIS1349 3.8 16.8 1.0
N D:CYS1323 3.9 27.6 1.0
N D:CYS1320 4.1 31.2 1.0
CA D:CYS1323 4.2 28.2 1.0
NE2 D:HIS1349 4.2 22.4 1.0
CA D:HIS1349 4.2 20.4 1.0
CA D:CYS1320 4.3 29.0 1.0
CD2 D:HIS1349 4.4 16.8 1.0
CA D:CYS1318 4.5 32.6 1.0
O D:CYS1320 4.5 26.8 1.0
O D:HIS1349 4.5 20.5 1.0
C D:CYS1318 4.6 33.7 1.0
C D:CYS1320 4.7 28.3 1.0
CB D:VAL1322 4.7 27.6 1.0
C D:HIS1349 4.8 20.3 1.0
O D:CYS1318 4.9 34.4 1.0
CB D:LEU1314 4.9 20.4 1.0
C D:VAL1322 4.9 27.0 1.0
N D:HIS1319 5.0 34.5 1.0

Reference:

B.Stengl, E.A.Meyer, A.Heine, R.Brenk, F.Diederich, G.Klebe. Crystal Structures of Trna-Guanine Transglycosylase (Tgt) in Complex with Novel and Potent Inhibitors Unravel Pronounced Induced-Fit Adaptations and Suggest Dimer Formation Upon Substrate Binding J.Mol.Biol. V. 370 492 2007.
ISSN: ISSN 0022-2836
PubMed: 17524419
DOI: 10.1016/J.JMB.2007.04.008
Page generated: Wed Oct 16 20:45:52 2024

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