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Zinc in PDB 5jsw: Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-2-((((3A'R,6'R,6A'R)-2,2,2',2'-Tetramethyldihydro-3A'H- Spiro[[1,3]Dioxolane-4,4'-Furo[3,4-D][1,3]Dioxol]-6'-Yl)Methyl) Amino)-1H-Imidazo[4,5-G]Quinazolin-8(7H)-One

Enzymatic activity of Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-2-((((3A'R,6'R,6A'R)-2,2,2',2'-Tetramethyldihydro-3A'H- Spiro[[1,3]Dioxolane-4,4'-Furo[3,4-D][1,3]Dioxol]-6'-Yl)Methyl) Amino)-1H-Imidazo[4,5-G]Quinazolin-8(7H)-One

All present enzymatic activity of Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-2-((((3A'R,6'R,6A'R)-2,2,2',2'-Tetramethyldihydro-3A'H- Spiro[[1,3]Dioxolane-4,4'-Furo[3,4-D][1,3]Dioxol]-6'-Yl)Methyl) Amino)-1H-Imidazo[4,5-G]Quinazolin-8(7H)-One:
2.4.2.29;

Protein crystallography data

The structure of Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-2-((((3A'R,6'R,6A'R)-2,2,2',2'-Tetramethyldihydro-3A'H- Spiro[[1,3]Dioxolane-4,4'-Furo[3,4-D][1,3]Dioxol]-6'-Yl)Methyl) Amino)-1H-Imidazo[4,5-G]Quinazolin-8(7H)-One, PDB code: 5jsw 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) 30.16 / 1.22
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.336, 64.956, 70.782, 90.00, 96.38, 90.00
R / Rfree (%) 12.5 / 14.4

Other elements in 5jsw:

The structure of Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-2-((((3A'R,6'R,6A'R)-2,2,2',2'-Tetramethyldihydro-3A'H- Spiro[[1,3]Dioxolane-4,4'-Furo[3,4-D][1,3]Dioxol]-6'-Yl)Methyl) Amino)-1H-Imidazo[4,5-G]Quinazolin-8(7H)-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-2-((((3A'R,6'R,6A'R)-2,2,2',2'-Tetramethyldihydro-3A'H- Spiro[[1,3]Dioxolane-4,4'-Furo[3,4-D][1,3]Dioxol]-6'-Yl)Methyl) Amino)-1H-Imidazo[4,5-G]Quinazolin-8(7H)-One (pdb code 5jsw). 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-2-((((3A'R,6'R,6A'R)-2,2,2',2'-Tetramethyldihydro-3A'H- Spiro[[1,3]Dioxolane-4,4'-Furo[3,4-D][1,3]Dioxol]-6'-Yl)Methyl) Amino)-1H-Imidazo[4,5-G]Quinazolin-8(7H)-One, PDB code: 5jsw:

Zinc binding site 1 out of 1 in 5jsw

Go back to Zinc Binding Sites List in 5jsw
Zinc binding site 1 out of 1 in the Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-2-((((3A'R,6'R,6A'R)-2,2,2',2'-Tetramethyldihydro-3A'H- Spiro[[1,3]Dioxolane-4,4'-Furo[3,4-D][1,3]Dioxol]-6'-Yl)Methyl) Amino)-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) in Co-Crystallized Complex with 6- Amino-2-((((3A'R,6'R,6A'R)-2,2,2',2'-Tetramethyldihydro-3A'H- Spiro[[1,3]Dioxolane-4,4'-Furo[3,4-D][1,3]Dioxol]-6'-Yl)Methyl) Amino)-1H-Imidazo[4,5-G]Quinazolin-8(7H)-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:12.5
occ:1.00
ND1 A:HIS349 2.1 11.7 1.0
SG A:CYS320 2.3 12.0 1.0
SG A:CYS323 2.3 12.9 1.0
SG A:CYS318 2.3 14.6 1.0
CE1 A:HIS349 2.9 12.7 1.0
CG A:HIS349 3.2 11.0 1.0
CB A:CYS323 3.3 12.6 1.0
CB A:CYS318 3.3 15.4 1.0
CB A:CYS320 3.4 12.7 1.0
CB A:HIS349 3.7 10.9 1.0
N A:CYS323 3.9 12.2 1.0
CA A:HIS349 4.1 10.5 1.0
N A:CYS320 4.1 15.1 1.0
NE2 A:HIS349 4.1 12.9 1.0
CA A:CYS323 4.2 12.4 1.0
CA A:CYS320 4.2 13.9 1.0
CD2 A:HIS349 4.3 12.2 1.0
O A:HIS349 4.5 10.4 1.0
CA A:CYS318 4.6 16.6 1.0
C A:CYS318 4.7 17.3 1.0
C A:CYS320 4.7 12.9 1.0
O A:CYS320 4.7 13.5 1.0
C A:HIS349 4.8 10.7 1.0
CB A:VAL322 4.8 12.1 1.0
O A:CYS318 4.8 17.4 1.0
C A:VAL322 4.9 12.2 1.0

Reference:

F.R.Ehrmann, E.Schaefer, A.Heine, F.Diederich, G.Klebe. Application of Carbohydrates Based Lin-Benzoguanines in A Solvent-Exposed Subpocket of the Trna-Modifying Enzyme Tgt To Be Published.
Page generated: Sun Oct 27 19:13:25 2024

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