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Chlorine in PDB 6yh2: Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 2-(Methylamino)-1,7-Dihydro-8H- Imidazo[4,5-G]Quinazolin-8-One

Enzymatic activity of Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 2-(Methylamino)-1,7-Dihydro-8H- Imidazo[4,5-G]Quinazolin-8-One

All present enzymatic activity of Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 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) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 2-(Methylamino)-1,7-Dihydro-8H- Imidazo[4,5-G]Quinazolin-8-One, PDB code: 6yh2 was solved by A.Nguyen, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.10 / 1.19
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.724, 65.338, 70.909, 90.00, 96.13, 90.00
R / Rfree (%) 11.9 / 13.5

Other elements in 6yh2:

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

Fluorine (F) 4 atoms
Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 2-(Methylamino)-1,7-Dihydro-8H- Imidazo[4,5-G]Quinazolin-8-One (pdb code 6yh2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 2-(Methylamino)-1,7-Dihydro-8H- Imidazo[4,5-G]Quinazolin-8-One, PDB code: 6yh2:

Chlorine binding site 1 out of 1 in 6yh2

Go back to Chlorine Binding Sites List in 6yh2
Chlorine binding site 1 out of 1 in the Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 2-(Methylamino)-1,7-Dihydro-8H- Imidazo[4,5-G]Quinazolin-8-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 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:Cl405

b:18.8
occ:0.80
 HG1 A:THR285 2.2 17.6 1.0
HH12 A:ARG289 2.4 20.8 1.0
O A:HOH690 2.7 30.4 1.0
HD2 A:LYS52 3.0 21.6 1.0
OG1 A:THR285 3.0 14.7 1.0
HB A:THR285 3.0 17.2 1.0
HH22 A:ARG289 3.1 24.3 1.0
O A:HOH570 3.2 21.8 1.0
NH1 A:ARG289 3.2 17.3 1.0
HB A:VAL282 3.2 18.1 1.0
HB2 A:ARG286 3.3 21.1 0.5
HB2 A:ARG286 3.3 20.1 0.6
CB A:THR285 3.5 14.3 1.0
H A:ARG286 3.6 17.9 0.5
H A:ARG286 3.6 17.5 0.6
HH11 A:ARG289 3.7 20.8 1.0
NH2 A:ARG289 3.8 20.2 1.0
N A:ARG286 3.8 14.9 0.5
N A:ARG286 3.8 14.6 0.6
CD A:LYS52 3.8 18.0 1.0
HG12 A:VAL282 3.9 20.5 1.0
HB2 A:LYS52 3.9 17.1 1.0
CZ A:ARG289 4.0 18.8 1.0
HE2 A:LYS52 4.0 26.2 1.0
HA A:ARG286 4.0 19.4 0.5
HE3 A:LYS52 4.0 26.2 1.0
HA A:ARG286 4.0 18.9 0.6
CB A:VAL282 4.1 15.1 1.0
HG3 A:LYS52 4.1 18.6 1.0
HG11 A:VAL282 4.1 20.5 1.0
CB A:ARG286 4.2 17.6 0.5
CB A:ARG286 4.2 16.8 0.6
HE A:ARG286 4.2 30.1 0.5
CE A:LYS52 4.2 21.8 1.0
CG1 A:VAL282 4.2 17.1 1.0
CA A:ARG286 4.2 16.2 0.5
CA A:ARG286 4.3 15.7 0.6
HA A:VAL282 4.3 16.0 1.0
C A:THR285 4.3 14.5 1.0
O A:VAL282 4.4 14.1 1.0
CG A:LYS52 4.4 15.5 1.0
HG21 A:THR285 4.4 18.8 1.0
OG1 A:THR47 4.5 25.7 1.0
CA A:THR285 4.5 14.1 1.0
HD3 A:LYS52 4.5 21.6 1.0
HH21 A:ARG289 4.6 24.3 1.0
HB A:VAL45 4.6 15.4 1.0
CG2 A:THR285 4.6 15.6 1.0
CB A:LYS52 4.6 14.2 1.0
CA A:VAL282 4.7 13.3 1.0
HB3 A:ARG286 4.7 20.1 0.6
H A:LYS52 4.7 14.3 1.0
HB3 A:ARG286 4.7 21.1 0.5
HD3 A:ARG286 4.8 25.7 0.6
HH21 A:ARG286 4.8 33.1 0.5
O A:HOH665 4.9 15.5 1.0
NE A:ARG286 4.9 25.1 0.5
HG3 A:ARG286 5.0 23.9 0.5

Reference:

A.Nguyen, A.Heine, G.Klebe. Co-Crystallization, Nanoesi-Ms and 19F uc(Nmr) Reveal Dimer Disturbing Inhibitors and Conformational Changes at Dimer Contacts To Be Published.
Page generated: Mon Jul 29 17:44:08 2024

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