Chlorine in PDB 6fpu: Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-2-((((3AS,5AR,8BS)-2,2,7,7-Tetramethyltetrahydro-3AH-Bis([1, 3]Dioxolo)[4,5-B:4',5'-D]Pyran-3A-Yl)Methyl)Amino)-1,7-Dihydro-8H- Imidazo[4,5-G]Quinazolin-8-One

Enzymatic activity of Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-2-((((3AS,5AR,8BS)-2,2,7,7-Tetramethyltetrahydro-3AH-Bis([1, 3]Dioxolo)[4,5-B:4',5'-D]Pyran-3A-Yl)Methyl)Amino)-1,7-Dihydro-8H- Imidazo[4,5-G]Quinazolin-8-One

All present enzymatic activity of Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-2-((((3AS,5AR,8BS)-2,2,7,7-Tetramethyltetrahydro-3AH-Bis([1, 3]Dioxolo)[4,5-B:4',5'-D]Pyran-3A-Yl)Methyl)Amino)-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) in Co-Crystallized Complex with 6- Amino-2-((((3AS,5AR,8BS)-2,2,7,7-Tetramethyltetrahydro-3AH-Bis([1, 3]Dioxolo)[4,5-B:4',5'-D]Pyran-3A-Yl)Methyl)Amino)-1,7-Dihydro-8H- Imidazo[4,5-G]Quinazolin-8-One, PDB code: 6fpu 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) 44.23 / 1.36
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 88.623, 64.690, 70.502, 90.00, 93.49, 90.00
R / Rfree (%) 12.8 / 15.4

Other elements in 6fpu:

The structure of Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-2-((((3AS,5AR,8BS)-2,2,7,7-Tetramethyltetrahydro-3AH-Bis([1, 3]Dioxolo)[4,5-B:4',5'-D]Pyran-3A-Yl)Methyl)Amino)-1,7-Dihydro-8H- Imidazo[4,5-G]Quinazolin-8-One also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-2-((((3AS,5AR,8BS)-2,2,7,7-Tetramethyltetrahydro-3AH-Bis([1, 3]Dioxolo)[4,5-B:4',5'-D]Pyran-3A-Yl)Methyl)Amino)-1,7-Dihydro-8H- Imidazo[4,5-G]Quinazolin-8-One (pdb code 6fpu). 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) in Co-Crystallized Complex with 6- Amino-2-((((3AS,5AR,8BS)-2,2,7,7-Tetramethyltetrahydro-3AH-Bis([1, 3]Dioxolo)[4,5-B:4',5'-D]Pyran-3A-Yl)Methyl)Amino)-1,7-Dihydro-8H- Imidazo[4,5-G]Quinazolin-8-One, PDB code: 6fpu:

Chlorine binding site 1 out of 1 in 6fpu

Go back to Chlorine Binding Sites List in 6fpu
Chlorine binding site 1 out of 1 in the Trna Guanine Transglycosylase (Tgt) in Co-Crystallized Complex with 6- Amino-2-((((3AS,5AR,8BS)-2,2,7,7-Tetramethyltetrahydro-3AH-Bis([1, 3]Dioxolo)[4,5-B:4',5'-D]Pyran-3A-Yl)Methyl)Amino)-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) in Co-Crystallized Complex with 6- Amino-2-((((3AS,5AR,8BS)-2,2,7,7-Tetramethyltetrahydro-3AH-Bis([1, 3]Dioxolo)[4,5-B:4',5'-D]Pyran-3A-Yl)Methyl)Amino)-1,7-Dihydro-8H- Imidazo[4,5-G]Quinazolin-8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:18.1
occ:0.79
HH12 A:ARG289 2.4 23.7 1.0
HG1 A:THR285 2.6 19.4 1.0
O A:HOH701 2.8 43.1 1.0
HD2 A:LYS52 2.9 19.6 0.3
HH22 A:ARG289 3.0 27.4 1.0
OG1 A:THR285 3.0 16.2 1.0
HB A:THR285 3.0 18.6 1.0
O A:HOH780 3.2 50.7 1.0
HB A:VAL282 3.2 24.1 1.0
O A:HOH535 3.2 18.6 1.0
NH1 A:ARG289 3.3 19.7 1.0
HB2 A:ARG286 3.4 24.1 1.0
H A:ARG286 3.5 19.0 1.0
HD2 A:LYS52 3.5 21.4 0.7
CB A:THR285 3.5 15.5 1.0
HE2 A:LYS52 3.6 24.0 0.7
HG12 A:VAL282 3.6 26.1 1.0
NH2 A:ARG289 3.7 22.8 1.0
N A:ARG286 3.7 15.8 1.0
HH11 A:ARG289 3.8 23.7 1.0
CD A:LYS52 3.9 16.4 0.3
HG3 A:LYS52 3.9 19.5 0.7
CZ A:ARG289 3.9 21.7 1.0
CB A:VAL282 4.0 20.1 1.0
HZ2 A:LYS52 4.0 23.4 0.3
HB2 A:LYS52 4.0 16.8 0.3
O A:VAL282 4.0 17.6 1.0
HA A:ARG286 4.0 20.9 1.0
O A:HOH737 4.0 31.9 1.0
HB2 A:LYS52 4.1 18.0 0.7
HA A:VAL282 4.1 20.8 1.0
HE A:ARG286 4.1 36.3 1.0
HG3 A:LYS52 4.1 18.1 0.3
CG1 A:VAL282 4.1 21.8 1.0
CD A:LYS52 4.2 17.8 0.7
CB A:ARG286 4.2 20.1 1.0
HG11 A:VAL282 4.2 26.1 1.0
CA A:ARG286 4.2 17.4 1.0
C A:THR285 4.3 15.6 1.0
HE3 A:LYS52 4.3 21.5 0.3
CE A:LYS52 4.3 20.0 0.7
CG A:LYS52 4.4 16.3 0.7
HH21 A:ARG289 4.4 27.4 1.0
CG A:LYS52 4.4 15.1 0.3
HD3 A:LYS52 4.5 19.6 0.3
HG21 A:THR285 4.5 20.1 1.0
CA A:THR285 4.5 16.5 1.0
CA A:VAL282 4.5 17.4 1.0
CE A:LYS52 4.5 17.9 0.3
HB A:VAL45 4.6 18.7 1.0
CG2 A:THR285 4.6 16.7 1.0
HE3 A:LYS52 4.7 24.0 0.7
NZ A:LYS52 4.7 19.5 0.3
CB A:LYS52 4.7 14.0 0.3
HH11 A:ARG286 4.7 41.0 1.0
C A:VAL282 4.8 17.0 1.0
CB A:LYS52 4.8 15.0 0.7
HB3 A:ARG286 4.8 24.1 1.0
H A:LYS52 4.8 15.2 0.7
H A:LYS52 4.8 15.0 0.3
NE A:ARG286 4.9 30.2 1.0
H A:THR285 4.9 19.8 1.0
HG3 A:ARG286 4.9 27.9 1.0

Reference:

L.D.Movsisyan, E.Schafer, A.Nguyen, F.R.Ehrmann, A.Schwab, T.Rossolini, D.Zimmerli, B.Wagner, H.Daff, A.Heine, G.Klebe, F.Diederich. Sugar Acetonides Are A Superior Motif For Addressing the Large, Solvent-Exposed Ribose-33 Pocket of Trna-Guanine Transglycosylase. Chemistry V. 24 9957 2018.
ISSN: ISSN 1521-3765
PubMed: 29939431
DOI: 10.1002/CHEM.201801756
Page generated: Sat Dec 12 12:59:37 2020

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