Fluorine in PDB 6yh1: Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-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 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-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 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-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 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One, PDB code: 6yh1 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) 42.96 / 1.55
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 85.872, 65.286, 71.982, 90.00, 94.04, 90.00
R / Rfree (%) 13.3 / 16.7

Other elements in 6yh1:

The structure of Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One (pdb code 6yh1). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 10 binding sites of Fluorine where determined in the Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One, PDB code: 6yh1:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 10 in 6yh1

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Fluorine binding site 1 out of 10 in the Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F95

b:30.2
occ:1.00
 F A:FTR95 0.0 30.2 1.0
CZ3 A:FTR95 1.4 25.9 1.0
CE3 A:FTR95 2.4 23.8 1.0
CH2 A:FTR95 2.4 24.7 1.0
HE3 A:FTR95 2.6 28.6 1.0
HH2 A:FTR95 2.6 29.7 1.0
CD2 A:FTR95 3.6 20.0 1.0
CZ2 A:FTR95 3.7 21.3 1.0
HH11 A:ARG97 4.0 41.1 0.3
CE2 A:FTR95 4.1 19.6 1.0
HH11 A:ARG97 4.2 41.4 0.7
O A:HOH607 4.3 55.6 1.0
HD3 A:ARG97 4.3 32.5 0.7
HZ2 A:FTR95 4.4 25.6 1.0
HE A:ARG97 4.6 37.4 0.3
NH1 A:ARG97 4.7 34.2 0.3
HG21 A:ILE67 4.8 19.1 0.6
HG23 A:ILE67 4.8 19.9 0.4
HG23 A:ILE67 4.8 19.1 0.6
NH1 A:ARG97 4.9 34.5 0.7
O A:ALA64 4.9 22.0 1.0
HG21 A:ILE67 4.9 19.9 0.4
HB3 A:ALA64 5.0 29.3 1.0
CG A:FTR95 5.0 19.4 1.0

Fluorine binding site 2 out of 10 in 6yh1

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Fluorine binding site 2 out of 10 in the Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F178

b:20.2
occ:1.00
 F A:FTR178 0.0 20.2 1.0
CZ3 A:FTR178 1.4 17.6 1.0
CE3 A:FTR178 2.4 17.0 1.0
CH2 A:FTR178 2.4 17.5 1.0
HH2 A:FTR178 2.5 21.0 1.0
HE3 A:FTR178 2.6 20.4 1.0
HB2 A:GLU157 2.6 23.6 1.0
O A:HOH676 3.1 21.3 1.0
O A:ASP156 3.2 16.2 1.0
HA A:GLU157 3.3 19.9 1.0
C A:ASP156 3.3 16.0 1.0
HE2 A:PHE155 3.3 23.4 1.0
O A:HOH701 3.4 41.0 1.0
CB A:GLU157 3.4 19.6 1.0
N A:GLU157 3.5 16.1 1.0
CE2 A:PHE155 3.6 19.4 1.0
CA A:GLU157 3.6 16.6 1.0
CD2 A:FTR178 3.6 16.7 1.0
CZ2 A:FTR178 3.7 17.6 1.0
H A:GLU157 3.9 19.3 1.0
CZ A:PHE155 4.0 18.4 1.0
HG13 A:VAL122 4.0 29.5 0.3
HB3 A:GLU157 4.0 23.6 1.0
HZ A:PHE155 4.0 22.1 1.0
CE2 A:FTR178 4.1 17.1 1.0
HA A:ASP156 4.2 19.3 1.0
CD2 A:PHE155 4.2 16.6 1.0
HG3 A:GLU157 4.2 28.6 1.0
OE1 A:GLU157 4.3 29.4 1.0
CA A:ASP156 4.3 16.1 1.0
HD2 A:PHE155 4.3 20.0 1.0
CG A:GLU157 4.3 23.8 1.0
HZ2 A:FTR178 4.4 21.1 1.0
HG11 A:VAL122 4.4 29.5 0.3
CG1 A:VAL122 4.6 24.5 0.3
HG2 A:ARG174 4.6 26.9 1.0
N A:ASP156 4.7 15.6 1.0
HG12 A:VAL122 4.7 29.5 0.3
CD A:GLU157 4.8 26.4 1.0
CE1 A:PHE155 4.8 17.8 1.0
HD3 A:ARG174 4.9 29.9 1.0
H A:ASP156 4.9 18.8 1.0
CG A:FTR178 5.0 15.5 1.0
CG A:PHE155 5.0 15.9 1.0

Fluorine binding site 3 out of 10 in 6yh1

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Fluorine binding site 3 out of 10 in the Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F296

b:37.4
occ:1.00
 F A:FTR296 0.0 37.4 1.0
CZ3 A:FTR296 1.4 33.8 1.0
CE3 A:FTR296 2.4 29.1 1.0
CH2 A:FTR296 2.4 32.7 1.0
HD13 A:LEU357 2.5 25.9 1.0
HH2 A:FTR296 2.5 39.3 1.0
HE3 A:FTR296 2.6 34.9 1.0
HD1 A:PHE377 2.6 30.5 1.0
HZ A:PHE373 3.0 28.4 1.0
HD12 A:LEU357 3.1 25.9 1.0
HE1 A:PHE377 3.1 32.6 1.0
CD1 A:LEU357 3.2 21.6 1.0
CD1 A:PHE377 3.3 25.4 1.0
CE1 A:PHE377 3.5 27.1 1.0
CD2 A:FTR296 3.6 26.8 1.0
CZ2 A:FTR296 3.6 31.6 1.0
HD2 A:LYS360 3.7 35.4 1.0
HA A:LEU357 3.7 19.1 1.0
HD11 A:LEU357 3.7 25.9 1.0
CZ A:PHE373 3.7 23.6 1.0
HE1 A:PHE373 3.8 30.9 1.0
HB2 A:LEU357 3.9 23.0 1.0
CE2 A:FTR296 4.1 28.8 1.0
CE1 A:PHE373 4.2 25.7 1.0
HZ A:PHE353 4.3 31.6 1.0
HB2 A:PHE377 4.3 29.1 1.0
HZ2 A:FTR296 4.4 38.0 1.0
CG A:LEU357 4.4 20.0 1.0
CG A:PHE377 4.4 24.7 1.0
HD3 A:LYS360 4.4 35.4 1.0
CB A:LEU357 4.4 19.1 1.0
CD A:LYS360 4.5 29.5 1.0
CA A:LEU357 4.5 15.9 1.0
O A:HOH592 4.7 23.9 1.0
CZ A:PHE353 4.7 26.3 1.0
HE3 A:LYS360 4.7 38.1 1.0
HB2 A:LYS360 4.7 23.2 1.0
CZ A:PHE377 4.8 25.3 1.0
CE2 A:PHE373 4.8 23.1 1.0
HA A:FTR296 4.9 27.0 1.0
CB A:PHE377 4.9 24.2 1.0
O A:HOH770 4.9 38.5 1.0
HD22 A:LEU357 4.9 27.3 1.0
HE2 A:PHE373 4.9 27.7 1.0
CG A:FTR296 4.9 24.9 1.0

Fluorine binding site 4 out of 10 in 6yh1

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Fluorine binding site 4 out of 10 in the Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F326

b:31.2
occ:1.00
 F A:FTR326 0.0 31.2 1.0
CZ3 A:FTR326 1.4 27.8 1.0
CH2 A:FTR326 2.4 27.6 1.0
CE3 A:FTR326 2.4 25.8 1.0
HH2 A:FTR326 2.5 33.1 1.0
HE3 A:FTR326 2.6 31.0 1.0
HD22 A:LEU345 2.8 32.3 1.0
HA A:VAL322 2.8 31.4 1.0
HG22 A:VAL322 3.1 31.2 1.0
HD21 A:LEU345 3.1 32.3 1.0
CD2 A:LEU345 3.4 26.9 1.0
CD2 A:FTR326 3.6 25.2 1.0
CZ2 A:FTR326 3.7 26.8 1.0
CA A:VAL322 3.7 26.2 1.0
HD23 A:LEU345 3.8 32.3 1.0
HB3 A:LYS325 3.9 40.9 1.0
O A:ALA321 3.9 32.6 1.0
CG2 A:VAL322 3.9 25.9 1.0
N A:VAL322 4.0 28.7 1.0
HG13 A:VAL322 4.0 28.3 1.0
CE2 A:FTR326 4.1 24.8 1.0
C A:ALA321 4.1 31.4 1.0
HG23 A:VAL322 4.3 31.2 1.0
CB A:VAL322 4.3 24.6 1.0
HD3 A:LYS325 4.3 45.8 1.0
HZ2 A:FTR326 4.4 32.2 1.0
HB1 A:ALA321 4.4 42.6 1.0
H A:VAL322 4.4 34.4 1.0
HD13 A:LEU345 4.4 32.3 1.0
HB3 A:ALA321 4.5 42.6 1.0
HG21 A:VAL322 4.6 31.2 1.0
CG A:LEU345 4.7 25.7 1.0
CG1 A:VAL322 4.7 23.5 1.0
HD11 A:LEU345 4.7 32.3 1.0
CB A:LYS325 4.7 34.0 1.0
C A:VAL322 4.8 26.3 1.0
CD1 A:LEU345 4.8 26.9 1.0
O A:VAL322 4.9 27.5 1.0
CB A:ALA321 4.9 35.5 1.0
HB2 A:LYS325 4.9 40.9 1.0
CG A:FTR326 5.0 23.8 1.0
HG2 A:LYS325 5.0 44.1 1.0

Fluorine binding site 5 out of 10 in 6yh1

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Fluorine binding site 5 out of 10 in the Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:22.3
occ:0.40
 F A:OQQ402 0.0 22.3 0.4
F1 A:OQQ402 1.2 23.9 0.6
C15 A:OQQ402 1.3 22.6 0.4
C15 A:OQQ402 1.5 21.5 0.6
F A:OQQ402 1.6 21.8 0.6
F2 A:OQQ402 2.1 24.1 0.4
F1 A:OQQ402 2.2 21.5 0.4
C14 A:OQQ402 2.4 22.3 0.4
C14 A:OQQ402 2.4 17.8 0.6
F2 A:OQQ402 2.7 22.5 0.6
C16 A:OQQ402 3.1 15.5 0.6
HE22 A:GLN107 3.1 25.0 1.0
C16 A:OQQ402 3.1 21.8 0.4
C13 A:OQQ402 3.3 22.9 0.4
C13 A:OQQ402 3.4 18.4 0.6
NE2 A:GLN107 3.5 20.8 1.0
HD21 A:ASN70 3.6 25.5 1.0
ND2 A:ASN70 3.6 21.2 1.0
CG A:ASN70 3.8 19.5 1.0
HD22 A:ASN70 3.8 25.5 1.0
HE21 A:GLN107 3.9 25.0 1.0
O A:HOH740 4.0 47.8 1.0
CD A:GLN107 4.0 21.9 1.0
OE1 A:GLN107 4.0 25.8 1.0
OD1 A:ASN70 4.1 19.9 1.0
O A:HOH516 4.2 36.2 1.0
HB2 A:ASN70 4.2 22.3 1.0
HA A:ASN70 4.2 20.6 1.0
O A:HOH756 4.2 57.2 1.0
C17 A:OQQ402 4.3 14.1 0.6
C17 A:OQQ402 4.4 21.5 0.4
HG21 A:VAL282 4.4 41.0 1.0
CB A:ASN70 4.5 18.5 1.0
HG12 A:VAL45 4.5 32.3 1.0
C12 A:OQQ402 4.5 22.4 0.4
C12 A:OQQ402 4.5 17.1 0.6
HG22 A:VAL282 4.6 41.0 1.0
HG11 A:VAL45 4.6 32.3 1.0
O A:HOH717 4.7 36.7 1.0
CA A:ASN70 4.9 17.2 1.0
C11 A:OQQ402 4.9 15.5 0.6
C11 A:OQQ402 4.9 21.7 0.4
CG2 A:VAL282 5.0 34.1 1.0

Fluorine binding site 6 out of 10 in 6yh1

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Fluorine binding site 6 out of 10 in the Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:21.8
occ:0.60
 F A:OQQ402 0.0 21.8 0.6
F2 A:OQQ402 0.9 24.1 0.4
C15 A:OQQ402 1.3 21.5 0.6
C15 A:OQQ402 1.4 22.6 0.4
F A:OQQ402 1.6 22.3 0.4
F2 A:OQQ402 2.1 22.5 0.6
F1 A:OQQ402 2.1 23.9 0.6
C14 A:OQQ402 2.4 17.8 0.6
C14 A:OQQ402 2.4 22.3 0.4
F1 A:OQQ402 2.4 21.5 0.4
HA A:ASN70 2.7 20.6 1.0
C16 A:OQQ402 2.7 15.5 0.6
C16 A:OQQ402 2.8 21.8 0.4
HE22 A:GLN107 2.9 25.0 1.0
CG A:ASN70 3.1 19.5 1.0
OD1 A:ASN70 3.3 19.9 1.0
HB2 A:ASN70 3.3 22.3 1.0
NE2 A:GLN107 3.3 20.8 1.0
HE21 A:GLN107 3.4 25.0 1.0
ND2 A:ASN70 3.4 21.2 1.0
CB A:ASN70 3.5 18.5 1.0
CA A:ASN70 3.5 17.2 1.0
C13 A:OQQ402 3.6 18.4 0.6
C13 A:OQQ402 3.7 22.9 0.4
HD21 A:ASN70 3.7 25.5 1.0
HD22 A:ASN70 3.7 25.5 1.0
O A:HOH525 3.9 19.9 1.0
O A:GLY69 3.9 20.1 1.0
C17 A:OQQ402 4.1 14.1 0.6
C17 A:OQQ402 4.2 21.5 0.4
CD A:GLN107 4.3 21.9 1.0
N A:ASN70 4.4 17.9 1.0
HB3 A:ASN70 4.4 22.3 1.0
C A:GLY69 4.5 17.7 1.0
H A:THR71 4.5 18.6 1.0
O A:HOH714 4.5 8.6 1.0
C A:ASN70 4.6 16.5 1.0
HD12 A:LEU68 4.6 35.2 1.0
O A:HOH717 4.7 36.7 1.0
OE1 A:GLN107 4.7 25.8 1.0
HG12 A:VAL45 4.7 32.3 1.0
HB3 A:LEU68 4.7 24.4 1.0
O A:HOH740 4.8 47.8 1.0
C12 A:OQQ402 4.8 17.1 0.6
C12 A:OQQ402 4.8 22.4 0.4
O A:HOH516 4.8 36.2 1.0
N A:THR71 4.9 15.4 1.0
C11 A:OQQ402 5.0 15.5 0.6

Fluorine binding site 7 out of 10 in 6yh1

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Fluorine binding site 7 out of 10 in the Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:21.5
occ:0.40
 F1 A:OQQ402 0.0 21.5 0.4
F1 A:OQQ402 1.1 23.9 0.6
C15 A:OQQ402 1.3 21.5 0.6
C15 A:OQQ402 1.4 22.6 0.4
F2 A:OQQ402 1.4 22.5 0.6
F2 A:OQQ402 2.1 24.1 0.4
F A:OQQ402 2.2 22.3 0.4
C14 A:OQQ402 2.3 17.8 0.6
C14 A:OQQ402 2.4 22.3 0.4
F A:OQQ402 2.4 21.8 0.6
HG12 A:VAL45 2.6 32.3 1.0
C13 A:OQQ402 2.7 18.4 0.6
C13 A:OQQ402 2.8 22.9 0.4
HG11 A:VAL45 3.2 32.3 1.0
CG1 A:VAL45 3.3 26.9 1.0
HG22 A:VAL282 3.3 41.0 1.0
HD12 A:LEU68 3.5 35.2 1.0
C16 A:OQQ402 3.6 15.5 0.6
C16 A:OQQ402 3.6 21.8 0.4
HG13 A:VAL45 3.7 32.3 1.0
HB3 A:LEU68 3.9 24.4 1.0
HG21 A:VAL282 3.9 41.0 1.0
CG2 A:VAL282 4.0 34.1 1.0
C12 A:OQQ402 4.1 17.1 0.6
C12 A:OQQ402 4.1 22.4 0.4
HB2 A:LEU68 4.2 24.4 1.0
HG23 A:VAL282 4.3 41.0 1.0
O A:HOH740 4.3 47.8 1.0
CD1 A:LEU68 4.4 29.4 1.0
CB A:LEU68 4.4 20.3 1.0
HB2 A:ASN70 4.5 22.3 1.0
HB A:VAL45 4.5 29.2 1.0
O A:HOH717 4.5 36.7 1.0
CB A:VAL45 4.5 24.4 1.0
HA A:VAL45 4.6 22.7 1.0
HA A:ASN70 4.6 20.6 1.0
HG A:LEU68 4.7 33.8 1.0
HD13 A:LEU68 4.7 35.2 1.0
C17 A:OQQ402 4.7 14.1 0.6
C17 A:OQQ402 4.8 21.5 0.4
CG A:LEU68 4.8 28.2 1.0
HD22 A:ASN70 4.8 25.5 1.0
O A:GLY69 4.8 20.1 1.0
ND2 A:ASN70 4.9 21.2 1.0
C11 A:OQQ402 5.0 15.5 0.6
C11 A:OQQ402 5.0 21.7 0.4

Fluorine binding site 8 out of 10 in 6yh1

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Fluorine binding site 8 out of 10 in the Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:23.9
occ:0.60
 F1 A:OQQ402 0.0 23.9 0.6
F1 A:OQQ402 1.1 21.5 0.4
C15 A:OQQ402 1.2 22.6 0.4
F A:OQQ402 1.2 22.3 0.4
C15 A:OQQ402 1.3 21.5 0.6
F2 A:OQQ402 2.1 22.5 0.6
F A:OQQ402 2.1 21.8 0.6
F2 A:OQQ402 2.3 24.1 0.4
C14 A:OQQ402 2.3 22.3 0.4
C14 A:OQQ402 2.4 17.8 0.6
C13 A:OQQ402 2.9 22.9 0.4
C13 A:OQQ402 2.9 18.4 0.6
HG12 A:VAL45 3.3 32.3 1.0
HG22 A:VAL282 3.5 41.0 1.0
C16 A:OQQ402 3.5 15.5 0.6
HG11 A:VAL45 3.5 32.3 1.0
C16 A:OQQ402 3.5 21.8 0.4
HG21 A:VAL282 3.7 41.0 1.0
O A:HOH740 3.8 47.8 1.0
CG1 A:VAL45 3.9 26.9 1.0
CG2 A:VAL282 4.0 34.1 1.0
C12 A:OQQ402 4.2 22.4 0.4
C12 A:OQQ402 4.3 17.1 0.6
HD22 A:ASN70 4.3 25.5 1.0
ND2 A:ASN70 4.3 21.2 1.0
HE22 A:GLN107 4.3 25.0 1.0
HG13 A:VAL45 4.3 32.3 1.0
HD21 A:ASN70 4.4 25.5 1.0
HB2 A:ASN70 4.4 22.3 1.0
HD12 A:LEU68 4.4 35.2 1.0
O A:HOH717 4.4 36.7 1.0
HG23 A:VAL282 4.4 41.0 1.0
CG A:ASN70 4.6 19.5 1.0
C17 A:OQQ402 4.7 14.1 0.6
HA A:ASN70 4.7 20.6 1.0
O A:HOH756 4.7 57.2 1.0
C17 A:OQQ402 4.7 21.5 0.4
NE2 A:GLN107 4.7 20.8 1.0
HG11 A:VAL282 4.8 41.3 1.0
HB3 A:LEU68 4.9 24.4 1.0
CB A:ASN70 4.9 18.5 1.0
C11 A:OQQ402 5.0 15.5 0.6

Fluorine binding site 9 out of 10 in 6yh1

Go back to Fluorine Binding Sites List in 6yh1
Fluorine binding site 9 out of 10 in the Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:24.1
occ:0.40
 F2 A:OQQ402 0.0 24.1 0.4
F A:OQQ402 0.9 21.8 0.6
C15 A:OQQ402 1.2 21.5 0.6
C15 A:OQQ402 1.3 22.6 0.4
F2 A:OQQ402 1.4 22.5 0.6
F A:OQQ402 2.1 22.3 0.4
F1 A:OQQ402 2.1 21.5 0.4
C14 A:OQQ402 2.3 17.8 0.6
F1 A:OQQ402 2.3 23.9 0.6
C14 A:OQQ402 2.4 22.3 0.4
HA A:ASN70 2.6 20.6 1.0
C16 A:OQQ402 2.8 15.5 0.6
C16 A:OQQ402 2.9 21.8 0.4
O A:GLY69 3.3 20.1 1.0
HB2 A:ASN70 3.3 22.3 1.0
CA A:ASN70 3.4 17.2 1.0
C13 A:OQQ402 3.4 18.4 0.6
C13 A:OQQ402 3.5 22.9 0.4
O A:HOH525 3.6 19.9 1.0
CG A:ASN70 3.6 19.5 1.0
CB A:ASN70 3.6 18.5 1.0
HE22 A:GLN107 3.7 25.0 1.0
OD1 A:ASN70 3.9 19.9 1.0
HB3 A:LEU68 3.9 24.4 1.0
HD12 A:LEU68 3.9 35.2 1.0
C A:GLY69 3.9 17.7 1.0
ND2 A:ASN70 4.0 21.2 1.0
N A:ASN70 4.0 17.9 1.0
HE21 A:GLN107 4.1 25.0 1.0
NE2 A:GLN107 4.1 20.8 1.0
C17 A:OQQ402 4.2 14.1 0.6
HD22 A:ASN70 4.2 25.5 1.0
C17 A:OQQ402 4.2 21.5 0.4
HG12 A:VAL45 4.3 32.3 1.0
HD21 A:ASN70 4.4 25.5 1.0
H A:THR71 4.4 18.6 1.0
HD13 A:LEU68 4.5 35.2 1.0
HB3 A:ASN70 4.6 22.3 1.0
C12 A:OQQ402 4.6 17.1 0.6
CD1 A:LEU68 4.6 29.4 1.0
C A:ASN70 4.6 16.5 1.0
O A:HOH717 4.7 36.7 1.0
C12 A:OQQ402 4.7 22.4 0.4
CB A:LEU68 4.8 20.3 1.0
H A:ASN70 4.8 21.4 1.0
O A:HOH714 4.8 8.6 1.0
N A:THR71 4.9 15.4 1.0
HB2 A:LEU68 4.9 24.4 1.0
C11 A:OQQ402 4.9 15.5 0.6
C11 A:OQQ402 5.0 21.7 0.4

Fluorine binding site 10 out of 10 in 6yh1

Go back to Fluorine Binding Sites List in 6yh1
Fluorine binding site 10 out of 10 in the Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Trna-Guanine Transglycosylase (Tgt) Labeled with 5-Fluorotryptophan in Co-Crystallized Complex with 6-Amino-2-(Methylamino)-4-(4- (Trifluoromethyl)Phenethyl)-3,7-Dihydro-8H-Imidazo[4,5-G]Quinazolin- 8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:22.5
occ:0.60
 F2 A:OQQ402 0.0 22.5 0.6
C15 A:OQQ402 1.3 21.5 0.6
F1 A:OQQ402 1.4 21.5 0.4
F2 A:OQQ402 1.4 24.1 0.4
C15 A:OQQ402 1.6 22.6 0.4
F A:OQQ402 2.1 21.8 0.6
F1 A:OQQ402 2.1 23.9 0.6
C14 A:OQQ402 2.4 17.8 0.6
C14 A:OQQ402 2.5 22.3 0.4
F A:OQQ402 2.7 22.3 0.4
HB3 A:LEU68 2.8 24.4 1.0
HD12 A:LEU68 2.9 35.2 1.0
C13 A:OQQ402 3.0 18.4 0.6
HG12 A:VAL45 3.1 32.3 1.0
C13 A:OQQ402 3.2 22.9 0.4
C16 A:OQQ402 3.4 15.5 0.6
C16 A:OQQ402 3.4 21.8 0.4
O A:GLY69 3.5 20.1 1.0
HB2 A:LEU68 3.6 24.4 1.0
HA A:ASN70 3.6 20.6 1.0
CB A:LEU68 3.6 20.3 1.0
CD1 A:LEU68 3.7 29.4 1.0
HD13 A:LEU68 3.8 35.2 1.0
HB2 A:ASN70 3.9 22.3 1.0
CG1 A:VAL45 4.0 26.9 1.0
HG11 A:VAL45 4.1 32.3 1.0
C A:GLY69 4.1 17.7 1.0
CG A:LEU68 4.2 28.2 1.0
C12 A:OQQ402 4.3 17.1 0.6
O A:HOH525 4.3 19.9 1.0
CA A:ASN70 4.3 17.2 1.0
HG A:LEU68 4.3 33.8 1.0
C12 A:OQQ402 4.4 22.4 0.4
CB A:ASN70 4.5 18.5 1.0
HD11 A:LEU68 4.5 35.2 1.0
HA A:VAL45 4.5 22.7 1.0
HG13 A:VAL45 4.5 32.3 1.0
N A:ASN70 4.5 17.9 1.0
HG22 A:VAL282 4.6 41.0 1.0
C17 A:OQQ402 4.6 14.1 0.6
O A:LEU68 4.6 19.1 1.0
C A:LEU68 4.6 18.2 1.0
C17 A:OQQ402 4.6 21.5 0.4
O A:HOH717 4.7 36.7 1.0
CG A:ASN70 4.7 19.5 1.0
O A:HOH587 4.8 30.1 1.0
CA A:LEU68 4.8 17.1 1.0
HB A:VAL45 4.8 29.2 1.0
HD22 A:ASN70 4.9 25.5 1.0
CB A:VAL45 4.9 24.4 1.0
ND2 A:ASN70 4.9 21.2 1.0
C11 A:OQQ402 5.0 15.5 0.6
N A:GLY69 5.0 16.4 1.0

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: Sun Dec 13 13:42:01 2020

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