Chlorine in PDB 8z75: The Structure of Non-Activated Thiocyanate Dehydrogenase From Pelomicrobium Methylotrophicum (Pmtcdh)

The structure of The Structure of Non-Activated Thiocyanate Dehydrogenase From Pelomicrobium Methylotrophicum (Pmtcdh), PDB code: 8z75 was solved by L.A.Varfolomeeva, A.Y.Solovieva, N.S.Shipkov, N.I.Dergousova, K.M.Boyko, T.V.Tikhonova, V.O.Popov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.04 / 1.45
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	97.99, 101.95, 276.17, 90, 90, 90
R / Rfree (%)	16.7 / 19.6

The structure of The Structure of Non-Activated Thiocyanate Dehydrogenase From Pelomicrobium Methylotrophicum (Pmtcdh) also contains other interesting chemical elements:

Copper

(Cu)

3 atoms

The binding sites of Chlorine atom in the The Structure of Non-Activated Thiocyanate Dehydrogenase From Pelomicrobium Methylotrophicum (Pmtcdh) (pdb code 8z75). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The Structure of Non-Activated Thiocyanate Dehydrogenase From Pelomicrobium Methylotrophicum (Pmtcdh), PDB code: 8z75:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the The Structure of Non-Activated Thiocyanate Dehydrogenase From Pelomicrobium Methylotrophicum (Pmtcdh)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Non-Activated Thiocyanate Dehydrogenase From Pelomicrobium Methylotrophicum (Pmtcdh) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:21.0 occ:0.70 O A:HOH1069 3.2 25.4 0.5 N A:ASP177 3.2 15.2 1.0 NH1 A:ARG305 3.3 20.4 1.0 NH2 A:ARG305 3.4 28.1 1.0 CG A:ASP177 3.5 19.3 1.0 CD A:PRO176 3.5 15.1 1.0 CB A:ASP177 3.6 16.3 1.0 OD1 A:ASP177 3.7 18.1 1.0 N A:PRO176 3.7 14.2 1.0 CZ A:ARG305 3.8 19.0 1.0 CB A:PRO176 3.8 15.7 1.0 OD2 A:ASP177 3.9 20.7 1.0 C A:PRO176 4.0 14.5 1.0 CA A:ASP177 4.0 16.5 1.0 CG A:PRO176 4.0 17.0 1.0 CA A:PRO176 4.1 15.1 1.0 CB A:THR175 4.1 13.9 1.0 O A:HOH778 4.2 28.7 1.0 C A:THR175 4.4 15.8 1.0 OG1 A:THR175 4.5 14.8 1.0 O A:HOH877 4.6 28.5 1.0 O A:HOH1062 4.8 25.8 0.5 CA A:THR175 4.8 13.9 1.0

Chlorine binding site 2 out of 3 in the The Structure of Non-Activated Thiocyanate Dehydrogenase From Pelomicrobium Methylotrophicum (Pmtcdh)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of Non-Activated Thiocyanate Dehydrogenase From Pelomicrobium Methylotrophicum (Pmtcdh) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl605 b:23.2 occ:0.70 NH2 B:ARG305 3.1 26.9 1.0 N B:ASP177 3.3 15.1 1.0 CG B:ASP177 3.4 19.1 1.0 NH1 B:ARG305 3.4 19.5 1.0 OD1 B:ASP177 3.5 17.7 1.0 CD B:PRO176 3.6 15.1 1.0 CB B:ASP177 3.6 19.0 1.0 O B:HOH917 3.7 31.9 1.0 CZ B:ARG305 3.7 21.6 1.0 N B:PRO176 3.8 16.1 1.0 OD2 B:ASP177 3.8 22.1 1.0 CB B:PRO176 3.9 16.0 1.0 CB B:THR175 4.0 16.0 1.0 C B:PRO176 4.1 14.7 1.0 CA B:ASP177 4.1 16.2 1.0 CG B:PRO176 4.1 16.0 1.0 CA B:PRO176 4.1 14.4 1.0 OG1 B:THR175 4.4 15.3 1.0 C B:THR175 4.4 16.4 1.0 O B:HOH881 4.5 29.2 1.0 CA B:THR175 4.8 13.8 1.0 CG2 B:THR175 4.9 16.6 1.0

Chlorine binding site 3 out of 3 in the The Structure of Non-Activated Thiocyanate Dehydrogenase From Pelomicrobium Methylotrophicum (Pmtcdh)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of Non-Activated Thiocyanate Dehydrogenase From Pelomicrobium Methylotrophicum (Pmtcdh) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl606 b:25.3 occ:1.00 O C:HOH1025 3.2 35.6 1.0 NH1 C:ARG305 3.3 17.2 1.0 N C:ASP177 3.4 15.3 1.0 CG C:ASP177 3.5 22.9 1.0 NH2 C:ARG305 3.5 21.5 1.0 CD C:PRO176 3.6 15.0 1.0 OD1 C:ASP177 3.6 18.2 1.0 O C:HOH858 3.6 24.1 1.0 CB C:ASP177 3.7 17.0 1.0 N C:PRO176 3.8 14.2 1.0 CZ C:ARG305 3.8 21.3 1.0 OD2 C:ASP177 3.9 19.9 1.0 CB C:PRO176 4.0 16.2 1.0 CB C:THR175 4.0 13.0 1.0 CA C:ASP177 4.2 15.4 1.0 CG C:PRO176 4.2 17.0 1.0 C C:PRO176 4.2 13.6 1.0 O C:HOH935 4.2 16.2 0.5 CA C:PRO176 4.2 12.7 1.0 OG1 C:THR175 4.4 14.1 1.0 O C:HOH1061 4.5 34.3 0.5 C C:THR175 4.5 15.1 1.0 O C:HOH1000 4.8 20.3 0.5 CA C:THR175 4.8 14.6 1.0 CG2 C:THR175 4.9 16.0 1.0 O C:HOH1022 5.0 34.0 1.0

L.A.Varfolomeeva, A.Y.Solovieva, N.S.Shipkov, N.I.Dergousova, K.M.Boyko, T.V.Tikhonova, V.O.Popov. The Structure of Non-Activated Thiocyanate Dehydrogenase From Pelomicrobium Methylotrophicum (Pmtcdh) To Be Published.