Atomistry » Fluorine » PDB 5y6d-5zab » 5yvo
Atomistry »
  Fluorine »
    PDB 5y6d-5zab »
      5yvo »

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

Go back to Fluorine Binding Sites List in 5yvo
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

Go back to Fluorine Binding Sites List in 5yvo
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

Go back to Fluorine Binding Sites List in 5yvo
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

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy