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Zinc in PDB 4q8p: Trna-Guanine Transglycosylase (Tgt) Mutant V262D in Complex with 6- Amino-2-{[2-(Morpholin-4-Yl)Ethyl]Amino}-1H,7H,8H-Imidazo[4,5- G]Quinazolin-8-One

Enzymatic activity of Trna-Guanine Transglycosylase (Tgt) Mutant V262D in Complex with 6- Amino-2-{[2-(Morpholin-4-Yl)Ethyl]Amino}-1H,7H,8H-Imidazo[4,5- G]Quinazolin-8-One

All present enzymatic activity of Trna-Guanine Transglycosylase (Tgt) Mutant V262D in Complex with 6- Amino-2-{[2-(Morpholin-4-Yl)Ethyl]Amino}-1H,7H,8H-Imidazo[4,5- G]Quinazolin-8-One:
2.4.2.29;

Protein crystallography data

The structure of Trna-Guanine Transglycosylase (Tgt) Mutant V262D in Complex with 6- Amino-2-{[2-(Morpholin-4-Yl)Ethyl]Amino}-1H,7H,8H-Imidazo[4,5- G]Quinazolin-8-One, PDB code: 4q8p was solved by M.Neeb, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.32 / 1.45
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 91.430, 64.980, 70.360, 90.00, 96.08, 90.00
R / Rfree (%) 13.8 / 16.5

Zinc Binding Sites:

The binding sites of Zinc atom in the Trna-Guanine Transglycosylase (Tgt) Mutant V262D in Complex with 6- Amino-2-{[2-(Morpholin-4-Yl)Ethyl]Amino}-1H,7H,8H-Imidazo[4,5- G]Quinazolin-8-One (pdb code 4q8p). 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) Mutant V262D in Complex with 6- Amino-2-{[2-(Morpholin-4-Yl)Ethyl]Amino}-1H,7H,8H-Imidazo[4,5- G]Quinazolin-8-One, PDB code: 4q8p:

Zinc binding site 1 out of 1 in 4q8p

Go back to Zinc Binding Sites List in 4q8p
Zinc binding site 1 out of 1 in the Trna-Guanine Transglycosylase (Tgt) Mutant V262D in Complex with 6- Amino-2-{[2-(Morpholin-4-Yl)Ethyl]Amino}-1H,7H,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) Mutant V262D in Complex with 6- Amino-2-{[2-(Morpholin-4-Yl)Ethyl]Amino}-1H,7H,8H-Imidazo[4,5- G]Quinazolin-8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:11.5
occ:1.00
 ND1 A:HIS349 2.1 10.8 1.0
SG A:CYS318 2.3 13.1 1.0
SG A:CYS320 2.3 11.3 1.0
SG A:CYS323 2.3 11.8 1.0
CE1 A:HIS349 2.9 11.9 1.0
CB A:CYS318 3.3 13.8 1.0
CG A:HIS349 3.3 9.5 1.0
CB A:CYS323 3.3 10.8 1.0
CB A:CYS320 3.3 9.5 1.0
CB A:HIS349 3.7 9.8 1.0
N A:CYS323 3.9 11.3 1.0
CA A:HIS349 4.1 9.2 1.0
NE2 A:HIS349 4.1 12.3 1.0
N A:CYS320 4.1 12.1 1.0
CA A:CYS323 4.2 11.5 1.0
CA A:CYS320 4.2 10.7 1.0
CD2 A:HIS349 4.3 11.0 1.0
O A:HIS349 4.5 9.7 1.0
CA A:CYS318 4.6 14.2 1.0
C A:CYS320 4.7 11.2 1.0
C A:CYS318 4.7 14.3 1.0
O A:CYS320 4.7 11.9 1.0
C A:HIS349 4.8 9.5 1.0
O A:CYS318 4.8 14.4 1.0
CB A:VAL322 4.8 9.3 1.0
C A:VAL322 4.9 10.8 1.0

Reference:

M.Neeb, A.Heine, G.Klebe. Creating A Resistance Model For Tgt: the Effect of Mutations on Flexible Lin-Benzoguanine Substituents To Be Published.
Page generated: Sun Oct 27 06:21:44 2024

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