Chlorine in PDB 8yu5: The Structure of Non-Activated Thiocyanate Dehydrogenase Mutant with the H447Q Substitution From Pelomicrobium Methylotrophicum (Pmtcdh H447Q)

The structure of The Structure of Non-Activated Thiocyanate Dehydrogenase Mutant with the H447Q Substitution From Pelomicrobium Methylotrophicum (Pmtcdh H447Q), PDB code: 8yu5 was solved by L.A.Varfolomeeva, 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)	45.88 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.77, 96.44, 147.67, 90, 90, 90
R / Rfree (%)	15 / 17.3

The structure of The Structure of Non-Activated Thiocyanate Dehydrogenase Mutant with the H447Q Substitution From Pelomicrobium Methylotrophicum (Pmtcdh H447Q) also contains other interesting chemical elements:

Copper

(Cu)

5 atoms

The binding sites of Chlorine atom in the The Structure of Non-Activated Thiocyanate Dehydrogenase Mutant with the H447Q Substitution From Pelomicrobium Methylotrophicum (Pmtcdh H447Q) (pdb code 8yu5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the The Structure of Non-Activated Thiocyanate Dehydrogenase Mutant with the H447Q Substitution From Pelomicrobium Methylotrophicum (Pmtcdh H447Q), PDB code: 8yu5:

Chlorine binding site 1 out of 1 in the The Structure of Non-Activated Thiocyanate Dehydrogenase Mutant with the H447Q Substitution From Pelomicrobium Methylotrophicum (Pmtcdh H447Q)


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 Mutant with the H447Q Substitution From Pelomicrobium Methylotrophicum (Pmtcdh H447Q) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl606 b:23.5 occ:1.00 NH1 B:ARG305 3.3 14.6 1.0 N B:ASP177 3.3 13.8 1.0 O B:HOH950 3.5 23.1 1.0 NH2 B:ARG305 3.5 16.7 1.0 CG B:ASP177 3.5 18.5 1.0 CD B:PRO176 3.6 13.6 1.0 OD1 B:ASP177 3.7 16.5 1.0 CB B:ASP177 3.7 15.5 1.0 N B:PRO176 3.8 12.4 1.0 CZ B:ARG305 3.8 14.0 1.0 OD2 B:ASP177 3.9 19.9 1.0 CB B:THR175 4.0 12.2 1.0 CB B:PRO176 4.0 15.6 1.0 CA B:ASP177 4.1 14.2 1.0 C B:PRO176 4.1 14.8 1.0 CG B:PRO176 4.2 15.4 1.0 O B:HOH976 4.2 28.4 1.0 CA B:PRO176 4.2 13.7 1.0 OG1 B:THR175 4.3 13.8 1.0 C B:THR175 4.4 12.7 1.0 CA B:THR175 4.8 12.9 1.0 CG2 B:THR175 4.9 13.3 1.0

L.A.Varfolomeeva, N.S.Shipkov, N.I.Dergousova, K.M.Boyko, T.V.Tikhonova, V.O.Popov. The Structure of Non-Activated Thiocyanate Dehydrogenase Mutant with the H447Q Substitution From Pelomicrobium Methylotrophicum (Pmtcdh H447Q) To Be Published.