Fluorine in PDB 7db4: Crystal Structure of Drosophila Melanogaster Noppera-Bo, Glutathione S-Transferase Epsilon 14 (DMGSTE14), in TDP012- and Glutathione-Bound Form

Enzymatic activity of Crystal Structure of Drosophila Melanogaster Noppera-Bo, Glutathione S-Transferase Epsilon 14 (DMGSTE14), in TDP012- and Glutathione-Bound Form

All present enzymatic activity of Crystal Structure of Drosophila Melanogaster Noppera-Bo, Glutathione S-Transferase Epsilon 14 (DMGSTE14), in TDP012- and Glutathione-Bound Form:
2.5.1.18;

Protein crystallography data

The structure of Crystal Structure of Drosophila Melanogaster Noppera-Bo, Glutathione S-Transferase Epsilon 14 (DMGSTE14), in TDP012- and Glutathione-Bound Form, PDB code: 7db4 was solved by K.Koiwai, K.Inaba, F.Yumoto, T.Senda, R.Niwa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.90 / 1.54
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.675, 75.133, 108.708, 90, 90, 90
R / Rfree (%) 16.7 / 19.7

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Drosophila Melanogaster Noppera-Bo, Glutathione S-Transferase Epsilon 14 (DMGSTE14), in TDP012- and Glutathione-Bound Form (pdb code 7db4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Drosophila Melanogaster Noppera-Bo, Glutathione S-Transferase Epsilon 14 (DMGSTE14), in TDP012- and Glutathione-Bound Form, PDB code: 7db4:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 7db4

Go back to Fluorine Binding Sites List in 7db4
Fluorine binding site 1 out of 2 in the Crystal Structure of Drosophila Melanogaster Noppera-Bo, Glutathione S-Transferase Epsilon 14 (DMGSTE14), in TDP012- and Glutathione-Bound Form


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Drosophila Melanogaster Noppera-Bo, Glutathione S-Transferase Epsilon 14 (DMGSTE14), in TDP012- and Glutathione-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:28.0
occ:1.00
F8 A:H2C301 0.0 28.0 1.0
C5 A:H2C301 1.3 23.2 1.0
C4 A:H2C301 2.4 21.9 1.0
C6 A:H2C301 2.4 27.1 1.0
CB A:PHE39 3.2 21.6 1.0
N A:PHE39 3.3 15.2 1.0
CA A:PHE39 3.3 18.3 1.0
CZ A:ARG13 3.4 16.4 1.0
NH1 A:ARG13 3.5 16.6 1.0
C7 A:H2C301 3.6 20.6 1.0
C3 A:H2C301 3.6 22.3 1.0
NH2 A:ARG13 3.7 15.3 1.0
NE A:ARG13 3.7 15.7 1.0
CD1 A:PHE39 3.8 33.3 1.0
CG2 A:THR211 3.8 19.3 1.0
CG A:PHE39 4.0 24.4 1.0
C A:LEU38 4.0 17.9 1.0
C2 A:H2C301 4.1 22.6 1.0
CD A:ARG13 4.3 16.1 1.0
CB A:LEU38 4.3 17.7 1.0
O A:LEU38 4.6 20.0 1.0
CA A:LEU38 4.7 14.6 1.0
OD2 A:ASP11 4.8 15.9 1.0
C A:PHE39 4.8 21.2 1.0
CB A:THR211 4.9 18.3 1.0

Fluorine binding site 2 out of 2 in 7db4

Go back to Fluorine Binding Sites List in 7db4
Fluorine binding site 2 out of 2 in the Crystal Structure of Drosophila Melanogaster Noppera-Bo, Glutathione S-Transferase Epsilon 14 (DMGSTE14), in TDP012- and Glutathione-Bound Form


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Drosophila Melanogaster Noppera-Bo, Glutathione S-Transferase Epsilon 14 (DMGSTE14), in TDP012- and Glutathione-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:33.6
occ:1.00
F8 B:H2C301 0.0 33.6 1.0
C5 B:H2C301 1.3 36.5 1.0
C4 B:H2C301 2.4 33.3 1.0
C6 B:H2C301 2.4 26.7 1.0
CB B:PHE39 3.2 21.7 1.0
CA B:PHE39 3.3 21.8 1.0
N B:PHE39 3.3 19.0 1.0
C3 B:H2C301 3.6 29.2 1.0
C7 B:H2C301 3.6 28.7 1.0
CZ B:ARG13 3.7 21.7 1.0
CG2 B:THR211 3.8 22.9 1.0
NH1 B:ARG13 3.8 21.1 1.0
CD2 B:PHE39 3.8 43.2 1.0
C B:LEU38 4.0 15.5 1.0
CG B:PHE39 4.0 44.8 1.0
NH2 B:ARG13 4.0 18.0 1.0
NE B:ARG13 4.1 16.5 1.0
C2 B:H2C301 4.1 26.8 1.0
CB B:LEU38 4.4 17.5 1.0
O B:LEU38 4.4 21.8 1.0
CD B:ARG13 4.5 18.1 1.0
C B:PHE39 4.8 25.7 1.0
CA B:LEU38 4.8 16.2 1.0
CB B:THR211 4.9 20.8 1.0

Reference:

K.Koiwai, K.Inaba, K.Morohashi, S.Enya, H.Kojima, T.Okabe, Y.Fujikawa, H.Inoue, R.Yoshino, T.Hirokawa, F.Yumoto, T.Senda, R.Niwa. Non-Steroidal Compounds That Inhibit the Enzymatic Activity of Drosophila Melanogaster Steroidogenic Glutathione S-Transferase Noppera-Bo To Be Published.
Page generated: Wed Mar 3 13:33:34 2021

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