Chlorine in PDB 3vra: Mitochondrial Rhodoquinol-Fumarate Reductase From the Parasitic Nematode Ascaris Suum with the Specific Inhibitor Atpenin A5

The structure of Mitochondrial Rhodoquinol-Fumarate Reductase From the Parasitic Nematode Ascaris Suum with the Specific Inhibitor Atpenin A5, PDB code: 3vra was solved by H.Shimizu, T.Shiba, D.K.Inaoka, A.Osanai, K.Kita, K.Sakamoto, S.Harada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.72 / 3.44
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	122.823, 132.250, 220.577, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 28.1

The structure of Mitochondrial Rhodoquinol-Fumarate Reductase From the Parasitic Nematode Ascaris Suum with the Specific Inhibitor Atpenin A5 also contains other interesting chemical elements:

Iron

(Fe)

20 atoms

The binding sites of Chlorine atom in the Mitochondrial Rhodoquinol-Fumarate Reductase From the Parasitic Nematode Ascaris Suum with the Specific Inhibitor Atpenin A5 (pdb code 3vra). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Mitochondrial Rhodoquinol-Fumarate Reductase From the Parasitic Nematode Ascaris Suum with the Specific Inhibitor Atpenin A5, PDB code: 3vra:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Mitochondrial Rhodoquinol-Fumarate Reductase From the Parasitic Nematode Ascaris Suum with the Specific Inhibitor Atpenin A5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mitochondrial Rhodoquinol-Fumarate Reductase From the Parasitic Nematode Ascaris Suum with the Specific Inhibitor Atpenin A5 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:0.2 occ:1.00 CL12 C:AT5202 0.0 0.2 1.0 C13 C:AT5202 1.8 0.4 1.0 C12 C:AT5202 2.7 0.9 1.0 C17 C:AT5202 2.8 0.8 1.0 C14 C:AT5202 2.9 0.3 1.0 C11 C:AT5202 3.5 0.5 1.0 CL16 C:AT5202 3.5 0.8 1.0 C8 C:AT5202 4.5 0.1 1.0 OH D:TYR107 4.8 1.0 1.0 CG2 C:VAL77 4.9 91.8 1.0

Chlorine binding site 2 out of 4 in the Mitochondrial Rhodoquinol-Fumarate Reductase From the Parasitic Nematode Ascaris Suum with the Specific Inhibitor Atpenin A5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mitochondrial Rhodoquinol-Fumarate Reductase From the Parasitic Nematode Ascaris Suum with the Specific Inhibitor Atpenin A5 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:0.8 occ:1.00 CL16 C:AT5202 0.0 0.8 1.0 C14 C:AT5202 1.8 0.3 1.0 C13 C:AT5202 2.8 0.4 1.0 CL12 C:AT5202 3.5 0.2 1.0 C12 C:AT5202 4.1 0.9 1.0 CD2 C:LEU60 4.4 96.1 1.0 CE2 D:TYR107 4.4 1.0 1.0 C10 C:AT5202 4.7 0.6 1.0 C8 C:AT5202 4.7 0.1 1.0 C11 C:AT5202 4.7 0.5 1.0

Chlorine binding site 3 out of 4 in the Mitochondrial Rhodoquinol-Fumarate Reductase From the Parasitic Nematode Ascaris Suum with the Specific Inhibitor Atpenin A5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mitochondrial Rhodoquinol-Fumarate Reductase From the Parasitic Nematode Ascaris Suum with the Specific Inhibitor Atpenin A5 within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl202 b:0.1 occ:1.00 CL12 G:AT5202 0.0 0.1 1.0 C13 G:AT5202 1.8 0.9 1.0 C11 G:AT5202 2.6 0.4 1.0 C12 G:AT5202 2.7 0.9 1.0 C14 G:AT5202 2.8 0.9 1.0 C10 G:AT5202 3.4 0.4 1.0 C8 G:AT5202 3.5 0.8 1.0 C17 G:AT5202 3.5 0.8 1.0 OH H:TYR107 4.2 0.3 1.0 CL16 G:AT5202 4.3 0.6 1.0 CG2 G:VAL77 4.6 90.4 1.0 C7 G:AT5202 4.7 0.1 1.0 CZ H:TYR107 4.8 0.2 1.0 C6 G:AT5202 4.8 0.7 1.0

Chlorine binding site 4 out of 4 in the Mitochondrial Rhodoquinol-Fumarate Reductase From the Parasitic Nematode Ascaris Suum with the Specific Inhibitor Atpenin A5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mitochondrial Rhodoquinol-Fumarate Reductase From the Parasitic Nematode Ascaris Suum with the Specific Inhibitor Atpenin A5 within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl202 b:0.6 occ:1.00 CL16 G:AT5202 0.0 0.6 1.0 C14 G:AT5202 1.8 0.9 1.0 C13 G:AT5202 2.8 0.9 1.0 C12 G:AT5202 3.7 0.9 1.0 C17 G:AT5202 4.0 0.8 1.0 CL12 G:AT5202 4.3 0.1 1.0 CD2 G:LEU60 4.4 89.3 1.0 C11 G:AT5202 5.0 0.4 1.0

H.Shimizu, T.Shiba, D.K.Inaoka, A.Osanai, K.Kita, K.Sakamoto, S.Harada. Crystal Structure of Mitochondrial Quinol-Fumarate Reductase From Parasitic Nematode Ascaris Suum To Be Published.