Bromine in PDB 7db3: Crystal Structure of Drosophila Melanogaster Noppera-Bo, Glutathione S-Transferase Epsilon 14 (DMGSTE14), in TDP011-Bound Form

All present enzymatic activity of Crystal Structure of Drosophila Melanogaster Noppera-Bo, Glutathione S-Transferase Epsilon 14 (DMGSTE14), in TDP011-Bound Form:
2.5.1.18;

The structure of Crystal Structure of Drosophila Melanogaster Noppera-Bo, Glutathione S-Transferase Epsilon 14 (DMGSTE14), in TDP011-Bound Form, PDB code: 7db3 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)	31.58 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.11, 75.23, 108.51, 90, 90, 90
R / Rfree (%)	19.5 / 22.9

The binding sites of Bromine atom in the Crystal Structure of Drosophila Melanogaster Noppera-Bo, Glutathione S-Transferase Epsilon 14 (DMGSTE14), in TDP011-Bound Form (pdb code 7db3). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Drosophila Melanogaster Noppera-Bo, Glutathione S-Transferase Epsilon 14 (DMGSTE14), in TDP011-Bound Form, PDB code: 7db3:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Drosophila Melanogaster Noppera-Bo, Glutathione S-Transferase Epsilon 14 (DMGSTE14), in TDP011-Bound Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Drosophila Melanogaster Noppera-Bo, Glutathione S-Transferase Epsilon 14 (DMGSTE14), in TDP011-Bound Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:62.7 occ:1.00 BR A:H2X301 0.0 62.7 1.0 C19 A:H2X301 1.9 44.2 1.0 C21 A:H2X301 2.9 39.4 1.0 C18 A:H2X301 2.9 33.0 1.0 NE A:ARG13 3.7 28.1 1.0 CB A:ARG13 3.7 25.9 1.0 CD A:ARG13 3.9 23.4 1.0 C22 A:H2X301 4.2 45.7 1.0 CZ A:ARG13 4.2 30.4 1.0 C17 A:H2X301 4.2 40.2 1.0 CD1 A:LEU208 4.2 30.7 1.0 CB A:LEU38 4.3 27.4 1.0 CG A:ARG13 4.5 21.1 1.0 CD1 A:LEU38 4.5 28.6 1.0 OD2 A:ASP11 4.6 25.4 1.0 NH2 A:ARG13 4.7 27.1 1.0 C23 A:H2X301 4.7 40.8 1.0 NH1 A:ARG13 4.8 26.4 1.0 N A:PHE39 4.8 27.8 1.0 CG A:ASP11 4.9 22.9 1.0 OD1 A:ASP11 4.9 24.3 1.0 CG2 A:THR211 5.0 31.5 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Drosophila Melanogaster Noppera-Bo, Glutathione S-Transferase Epsilon 14 (DMGSTE14), in TDP011-Bound Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Drosophila Melanogaster Noppera-Bo, Glutathione S-Transferase Epsilon 14 (DMGSTE14), in TDP011-Bound Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Br301 b:74.7 occ:1.00 BR B:H2X301 0.0 74.7 1.0 C19 B:H2X301 1.9 54.4 1.0 C21 B:H2X301 2.9 51.0 1.0 C18 B:H2X301 2.9 50.9 1.0 CB B:ARG13 3.5 31.0 1.0 NE B:ARG13 3.6 33.5 1.0 CD B:ARG13 3.7 32.1 1.0 C22 B:H2X301 4.2 58.8 1.0 C17 B:H2X301 4.2 48.6 1.0 CZ B:ARG13 4.2 37.5 1.0 CG B:ARG13 4.2 25.8 1.0 CD1 B:LEU208 4.3 39.6 1.0 CB B:LEU38 4.4 34.1 1.0 CD1 B:LEU38 4.5 37.5 1.0 C11 B:H2X301 4.5 74.9 1.0 OD2 B:ASP11 4.5 28.9 1.0 C10 B:H2X301 4.6 61.8 1.0 C23 B:H2X301 4.7 51.7 1.0 NH2 B:ARG13 4.7 29.9 1.0 OD1 B:ASP11 4.7 27.2 1.0 CG B:ASP11 4.8 27.9 1.0 CA B:ARG13 4.8 30.0 1.0 NH1 B:ARG13 4.8 39.7 1.0 C B:ARG13 4.9 40.1 1.0 C12 B:H2X301 4.9 83.6 1.0

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.