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Zinc in PDB 4puj: Trna-Guanine Transglycosylase (Tgt) 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) 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) 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) in Complex with 6-Amino-2-{[2- (Morpholin-4-Yl)Ethyl]Amino}-1H,7H,8H-Imidazo[4,5-G]Quinazolin-8-One, PDB code: 4puj 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) 27.24 / 1.42
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.582, 64.843, 71.016, 90.00, 96.20, 90.00
R / Rfree (%) 12.9 / 16

Other elements in 4puj:

The structure of Trna-Guanine Transglycosylase (Tgt) in Complex with 6-Amino-2-{[2- (Morpholin-4-Yl)Ethyl]Amino}-1H,7H,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 Complex with 6-Amino-2-{[2- (Morpholin-4-Yl)Ethyl]Amino}-1H,7H,8H-Imidazo[4,5-G]Quinazolin-8-One (pdb code 4puj). 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 Complex with 6-Amino-2-{[2- (Morpholin-4-Yl)Ethyl]Amino}-1H,7H,8H-Imidazo[4,5-G]Quinazolin-8-One, PDB code: 4puj:

Zinc binding site 1 out of 1 in 4puj

Go back to Zinc Binding Sites List in 4puj
Zinc binding site 1 out of 1 in the Trna-Guanine Transglycosylase (Tgt) 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) 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:11.8
occ:1.00
ND1 A:HIS349 2.1 10.9 1.0
SG A:CYS320 2.3 11.7 1.0
SG A:CYS318 2.3 14.3 1.0
SG A:CYS323 2.3 12.2 1.0
CE1 A:HIS349 2.9 11.9 1.0
CG A:HIS349 3.3 9.5 1.0
CB A:CYS318 3.3 15.1 1.0
CB A:CYS323 3.3 11.4 1.0
CB A:CYS320 3.4 11.3 1.0
CB A:HIS349 3.7 9.2 1.0
N A:CYS323 3.9 11.2 1.0
NE2 A:HIS349 4.1 11.7 1.0
CA A:HIS349 4.1 8.9 1.0
N A:CYS320 4.1 15.1 1.0
CA A:CYS323 4.2 11.3 1.0
CA A:CYS320 4.2 13.0 1.0
CD2 A:HIS349 4.3 10.2 1.0
O A:HIS349 4.6 9.8 1.0
CA A:CYS318 4.6 15.3 1.0
C A:CYS318 4.7 17.2 1.0
O A:CYS320 4.7 12.6 1.0
C A:CYS320 4.7 11.9 1.0
CB A:VAL322 4.8 10.5 1.0
C A:HIS349 4.8 8.7 1.0
O A:CYS318 4.8 18.5 1.0
C A:VAL322 4.9 12.4 1.0

Reference:

M.Neeb, P.Czodrowski, A.Heine, L.J.Barandun, C.Hohn, F.Diederich, G.Klebe. Chasing Protons: How Isothermal Titration Calorimetry, Mutagenesis, and Pka Calculations Trace the Locus of Charge in Ligand Binding to A Trna-Binding Enzyme. J.Med.Chem. V. 57 5554 2014.
ISSN: ISSN 0022-2623
PubMed: 24955548
DOI: 10.1021/JM500401X
Page generated: Wed Dec 16 05:41:44 2020

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