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Zinc in PDB 3eos: Trna-Guanine Transglycosylase in 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 in 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 in 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 in Complex with 6-Amino-4-{2- [(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-1,7-Dihydro-8H- Imidazo[4,5-G]Quinazolin-8-One, PDB code: 3eos was solved by T.Ritschel, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.78
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 91.200, 64.800, 70.100, 90.00, 95.90, 90.00
R / Rfree (%) 17.3 / 23.2

Zinc Binding Sites:

The binding sites of Zinc atom in the Trna-Guanine Transglycosylase in Complex with 6-Amino-4-{2- [(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-1,7-Dihydro-8H- Imidazo[4,5-G]Quinazolin-8-One (pdb code 3eos). 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 in Complex with 6-Amino-4-{2- [(Cyclohexylmethyl)Amino]Ethyl}-2-(Methylamino)-1,7-Dihydro-8H- Imidazo[4,5-G]Quinazolin-8-One, PDB code: 3eos:

Zinc binding site 1 out of 1 in 3eos

Go back to Zinc Binding Sites List in 3eos
Zinc binding site 1 out of 1 in the Trna-Guanine Transglycosylase in 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 in 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:Zn387

b:15.4
occ:1.00
 ND1 A:HIS349 2.2 15.6 1.0
SG A:CYS320 2.3 16.9 1.0
SG A:CYS318 2.3 18.1 1.0
SG A:CYS323 2.3 16.1 1.0
CE1 A:HIS349 3.0 18.4 1.0
CB A:CYS318 3.2 15.7 1.0
CB A:CYS323 3.3 10.8 1.0
CB A:CYS320 3.3 14.0 1.0
CG A:HIS349 3.4 12.3 1.0
CB A:HIS349 3.9 13.1 1.0
N A:CYS323 3.9 14.0 1.0
N A:CYS320 4.1 14.4 1.0
CA A:HIS349 4.1 12.1 1.0
CA A:CYS323 4.1 13.3 1.0
CA A:CYS320 4.2 12.9 1.0
NE2 A:HIS349 4.2 13.6 1.0
CD2 A:HIS349 4.4 13.6 1.0
CA A:CYS318 4.5 16.1 1.0
O A:CYS320 4.5 17.0 1.0
O A:HIS349 4.6 14.2 1.0
C A:CYS320 4.6 15.3 1.0
C A:CYS318 4.7 17.3 1.0
CB A:VAL322 4.7 11.9 1.0
C A:HIS349 4.8 12.2 1.0
O A:CYS318 4.9 16.3 1.0
C A:VAL322 4.9 14.1 1.0

Reference:

T.Ritschel, P.C.Kohler, G.Neudert, A.Heine, F.Diederich, G.Klebe. How to Replace the Residual Solvation Shell of Polar Active Site Residues to Achieve Nanomolar Inhibition of Trna-Guanine Transglycosylase Chemmedchem V. 4 2012 2009.
ISSN: ISSN 1860-7179
PubMed: 19894214
DOI: 10.1002/CMDC.200900343
Page generated: Thu Oct 24 12:53:12 2024

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