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Fluorine in PDB 5yvo: Human Glutathione Transferase OMEGA1 Covalently Bound to ML175 Inhibitor

Enzymatic activity of Human Glutathione Transferase OMEGA1 Covalently Bound to ML175 Inhibitor

All present enzymatic activity of Human Glutathione Transferase OMEGA1 Covalently Bound to ML175 Inhibitor:
1.20.4.2; 1.8.5.1; 2.5.1.18;

Protein crystallography data

The structure of Human Glutathione Transferase OMEGA1 Covalently Bound to ML175 Inhibitor, PDB code: 5yvo was solved by C.Saisawang, A.Ketterman, J.Wongsantichon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.80
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 56.744, 56.744, 139.356, 90.00, 90.00, 120.00
R / Rfree (%) 16.6 / 20.3

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human Glutathione Transferase OMEGA1 Covalently Bound to ML175 Inhibitor (pdb code 5yvo). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Human Glutathione Transferase OMEGA1 Covalently Bound to ML175 Inhibitor, PDB code: 5yvo:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 5yvo

Go back to Fluorine Binding Sites List in 5yvo
Fluorine binding site 1 out of 6 in the Human Glutathione Transferase OMEGA1 Covalently Bound to ML175 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Glutathione Transferase OMEGA1 Covalently Bound to ML175 Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F305

b:42.8
occ:1.00
 F14 A:MLX305 0.0 42.8 1.0
C13 A:MLX305 1.3 45.3 1.0
F16 A:MLX305 2.2 44.1 1.0
F15 A:MLX305 2.2 43.0 1.0
C11 A:MLX305 2.3 31.8 1.0
O12 A:MLX305 2.9 34.3 1.0
CG1 A:VAL127 3.0 29.7 1.0
N10 A:MLX305 3.2 31.5 1.0
O A:HOH453 3.7 24.6 1.0
NE1 A:TRP180 3.8 17.0 1.0
CD1 A:TRP180 3.9 14.8 1.0
CG A:PRO33 3.9 15.9 1.0
CD A:ARG183 3.9 21.4 1.0
CB A:VAL127 4.0 26.7 1.0
C09 A:MLX305 4.4 34.8 1.0
CH2 A:TRP222 4.6 29.3 1.0
CD A:PRO33 4.6 16.7 1.0
C08 A:MLX305 4.6 30.4 1.0
NE A:ARG183 4.7 23.7 1.0
CG2 A:VAL127 4.8 28.4 1.0
CB A:PRO33 4.8 14.5 1.0
CZ2 A:TRP222 4.9 24.6 1.0
CE2 A:TRP180 5.0 15.1 1.0
CG A:ARG183 5.0 22.7 1.0
CB A:ARG183 5.0 20.4 1.0

Fluorine binding site 2 out of 6 in 5yvo

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Fluorine binding site 2 out of 6 in the Human Glutathione Transferase OMEGA1 Covalently Bound to ML175 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Glutathione Transferase OMEGA1 Covalently Bound to ML175 Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F305

b:43.0
occ:1.00
 F15 A:MLX305 0.0 43.0 1.0
C13 A:MLX305 1.3 45.3 1.0
F16 A:MLX305 2.2 44.1 1.0
F14 A:MLX305 2.2 42.8 1.0
C11 A:MLX305 2.3 31.8 1.0
O12 A:MLX305 2.8 34.3 1.0
N10 A:MLX305 3.4 31.5 1.0
CZ2 A:TRP222 3.4 24.6 1.0
CH2 A:TRP222 3.4 29.3 1.0
CG1 A:VAL127 3.5 29.7 1.0
CD1 A:ILE131 3.9 42.9 1.0
CG2 A:ILE131 4.0 45.6 1.0
CD A:ARG183 4.5 21.4 1.0
SD A:MET187 4.5 33.3 0.4
C09 A:MLX305 4.7 34.8 1.0
CE2 A:TRP222 4.7 20.2 1.0
CG1 A:ILE131 4.7 38.7 1.0
O A:VAL127 4.7 35.1 1.0
CZ3 A:TRP222 4.7 23.5 1.0
CB A:VAL127 4.8 26.7 1.0
CB A:ILE131 5.0 40.3 1.0
SD A:MET187 5.0 27.9 0.6
CE A:MET187 5.0 28.2 0.4

Fluorine binding site 3 out of 6 in 5yvo

Go back to Fluorine Binding Sites List in 5yvo
Fluorine binding site 3 out of 6 in the Human Glutathione Transferase OMEGA1 Covalently Bound to ML175 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human Glutathione Transferase OMEGA1 Covalently Bound to ML175 Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F305

b:44.1
occ:1.00
 F16 A:MLX305 0.0 44.1 1.0
C13 A:MLX305 1.3 45.3 1.0
F14 A:MLX305 2.2 42.8 1.0
F15 A:MLX305 2.2 43.0 1.0
C11 A:MLX305 2.3 31.8 1.0
N10 A:MLX305 2.6 31.5 1.0
CG1 A:VAL127 2.9 29.7 1.0
O12 A:MLX305 3.5 34.3 1.0
C A:VAL127 3.5 27.0 1.0
O A:HOH453 3.6 24.6 1.0
O A:VAL127 3.6 35.1 1.0
N A:GLY128 3.6 26.6 1.0
CB A:VAL127 3.7 26.7 1.0
CD1 A:ILE131 3.8 42.9 1.0
CA A:GLY128 4.0 28.4 1.0
C09 A:MLX305 4.0 34.8 1.0
CA A:VAL127 4.3 28.7 1.0
CG1 A:ILE131 4.4 38.7 1.0
C08 A:MLX305 4.6 30.4 1.0
CG2 A:ILE131 4.6 45.6 1.0
O A:PRO124 4.7 19.2 1.0

Fluorine binding site 4 out of 6 in 5yvo

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Fluorine binding site 4 out of 6 in the Human Glutathione Transferase OMEGA1 Covalently Bound to ML175 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human Glutathione Transferase OMEGA1 Covalently Bound to ML175 Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F306

b:67.6
occ:1.00
 F14 A:MLX306 0.0 67.6 1.0
C13 A:MLX306 1.3 58.0 1.0
F16 A:MLX306 2.1 65.5 1.0
F15 A:MLX306 2.2 47.3 1.0
C11 A:MLX306 2.3 55.1 1.0
N10 A:MLX306 2.9 41.7 1.0
O12 A:MLX306 3.3 47.6 1.0
C24 A:MLX306 3.9 40.1 1.0
C20 A:MLX306 3.9 36.9 1.0
C25 A:MLX306 4.2 37.3 1.0
C19 A:MLX306 4.2 41.1 1.0
O23 A:MLX306 4.2 52.3 1.0
C09 A:MLX306 4.3 35.4 1.0
N21 A:MLX306 4.3 43.9 1.0
C17 A:MLX306 4.5 36.4 1.0
C18 A:MLX306 4.5 34.3 1.0
C07 A:MLX306 4.9 26.2 1.0

Fluorine binding site 5 out of 6 in 5yvo

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Fluorine binding site 5 out of 6 in the Human Glutathione Transferase OMEGA1 Covalently Bound to ML175 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Human Glutathione Transferase OMEGA1 Covalently Bound to ML175 Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F306

b:47.3
occ:1.00
 F15 A:MLX306 0.0 47.3 1.0
C13 A:MLX306 1.3 58.0 1.0
F16 A:MLX306 2.2 65.5 1.0
F14 A:MLX306 2.2 67.6 1.0
C11 A:MLX306 2.4 55.1 1.0
N10 A:MLX306 2.9 41.7 1.0
O12 A:MLX306 3.3 47.6 1.0
C09 A:MLX306 4.1 35.4 1.0

Fluorine binding site 6 out of 6 in 5yvo

Go back to Fluorine Binding Sites List in 5yvo
Fluorine binding site 6 out of 6 in the Human Glutathione Transferase OMEGA1 Covalently Bound to ML175 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Human Glutathione Transferase OMEGA1 Covalently Bound to ML175 Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F306

b:65.5
occ:1.00
 F16 A:MLX306 0.0 65.5 1.0
C13 A:MLX306 1.3 58.0 1.0
F14 A:MLX306 2.1 67.6 1.0
F15 A:MLX306 2.2 47.3 1.0
C11 A:MLX306 2.3 55.1 1.0
O12 A:MLX306 2.6 47.6 1.0
N10 A:MLX306 3.5 41.7 1.0
C09 A:MLX306 4.7 35.4 1.0

Reference:

C.Saisawang, J.Wongsantichon, R.C.Robinson, A.J.Ketterman. Glutathione Transferase Omega 1-1 (GSTO1-1) Modulates Akt and MEK1/2 Signaling in Human Neuroblastoma Cell Sh-SY5Y. Proteins V. 87 588 2019.
ISSN: ESSN 1097-0134
PubMed: 30874320
DOI: 10.1002/PROT.25683
Page generated: Thu Aug 1 17:21:28 2024

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