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Zinc in PDB 5i02: Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-4-{2-[(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-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-[(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-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-[(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-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-[(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-1,7- Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One, PDB code: 5i02 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) 42.15 / 1.25
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 84.516, 64.774, 71.358, 90.00, 94.05, 90.00
R / Rfree (%) 13.7 / 15.8

Other elements in 5i02:

The structure of Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-4-{2-[(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-1,7- Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-4-{2-[(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-1,7- Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One (pdb code 5i02). 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) in Co-Crystallized Complex with 6- Amino-4-{2-[(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-1,7- Dihydro-8H-Imidazo[4,5-G]Quinazolin-8-One, PDB code: 5i02:

Zinc binding site 1 out of 1 in 5i02

Go back to Zinc Binding Sites List in 5i02
Zinc binding site 1 out of 1 in the Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-4-{2-[(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-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-[(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-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:16.7
occ:1.00
 ND1 A:HIS349 2.1 14.6 1.0
SG A:CYS320 2.3 17.6 1.0
SG A:CYS323 2.3 17.0 1.0
SG A:CYS318 2.3 18.5 1.0
CE1 A:HIS349 2.9 14.5 1.0
CB A:CYS323 3.2 18.3 1.0
CG A:HIS349 3.3 13.8 1.0
CB A:CYS318 3.3 19.1 1.0
CB A:CYS320 3.3 19.6 1.0
CB A:HIS349 3.7 14.8 1.0
N A:CYS323 3.9 18.6 1.0
NE2 A:HIS349 4.1 14.7 1.0
N A:CYS320 4.1 21.9 1.0
CA A:HIS349 4.1 14.3 1.0
CA A:CYS323 4.2 19.4 1.0
CA A:CYS320 4.2 21.0 1.0
CD2 A:HIS349 4.3 14.0 1.0
O A:HIS349 4.6 14.2 1.0
CA A:CYS318 4.6 21.1 1.0
C A:CYS320 4.7 22.0 1.0
O A:CYS320 4.7 22.0 1.0
C A:CYS318 4.7 22.6 1.0
C A:HIS349 4.8 13.8 1.0
CB A:VAL322 4.9 20.0 1.0
O A:CYS318 4.9 23.7 1.0
C A:VAL322 4.9 19.3 1.0

Reference:

F.R.Ehrmann, J.Stojko, A.Heine, F.Diederich, K.Reuter, 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 17:44:01 2024

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