Chlorine in PDB 8cm6: W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - with Formamide

The structure of W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - with Formamide, PDB code: 8cm6 was solved by G.Vilela-Alves, C.Mota, A.R.Oliveira, R.R.Manuel, I.C.Pereira, M.J.Romao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	117.57 / 1.42
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	74.467, 74.949, 122.806, 73.87, 89.14, 71.12
R / Rfree (%)	14.9 / 17.6

The structure of W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - with Formamide also contains other interesting chemical elements:

Tungsten	(W)	2 atoms
Iron	(Fe)	32 atoms

The binding sites of Chlorine atom in the W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - with Formamide (pdb code 8cm6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - with Formamide, PDB code: 8cm6:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - with Formamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - with Formamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1106 b:23.3 occ:1.00 O A:HOH1497 3.0 21.7 1.0 N A:TRP117 3.3 13.0 1.0 CA A:THR116 3.7 11.5 0.5 CB A:THR116 3.9 12.1 0.5 CD1 A:TRP117 3.9 12.1 1.0 CB A:TRP117 4.0 12.1 1.0 C A:THR116 4.1 14.6 1.0 O A:HOH1434 4.1 30.4 1.0 O A:TRP117 4.2 17.9 1.0 CA A:TRP117 4.2 12.9 1.0 CG2 A:THR116 4.3 11.4 0.5 CG A:TRP117 4.3 11.8 1.0 C A:TRP117 4.7 14.4 1.0 O A:ASP115 4.8 18.0 1.0 NZ A:LYS590 5.0 18.1 1.0

Chlorine binding site 2 out of 3 in the W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - with Formamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - with Formamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:12.8 occ:1.00 O2 B:EDO307 3.0 13.4 1.0 O B:HOH461 3.1 15.2 1.0 N B:PHE105 3.1 14.3 1.0 NZ B:LYS137 3.4 13.1 1.0 CB B:ASP139 3.6 13.7 1.0 C2 B:EDO307 3.6 15.0 1.0 CA B:ASP139 3.7 13.1 1.0 CA B:LEU104 3.7 14.1 1.0 O B:CYS138 3.7 13.4 1.0 CG B:LYS137 3.7 12.9 1.0 CE B:LYS137 3.7 12.0 1.0 O B:VAL103 3.8 13.0 1.0 O B:LYS137 3.8 11.0 1.0 C1 B:EDO307 3.9 16.2 1.0 C B:LEU104 3.9 14.5 1.0 CB B:PHE105 3.9 13.9 1.0 C B:CYS138 4.1 11.7 1.0 CA B:PHE105 4.1 14.2 1.0 N B:ASP139 4.1 12.6 1.0 CG B:PHE105 4.2 13.2 1.0 CD2 B:LEU104 4.3 13.6 1.0 CD B:LYS137 4.3 13.2 1.0 O B:PHE105 4.4 15.9 1.0 C B:LYS137 4.5 10.8 1.0 CB B:LEU104 4.6 13.5 1.0 C B:VAL103 4.6 14.0 1.0 N B:LEU104 4.6 14.4 1.0 O1 B:EDO307 4.7 16.2 1.0 CD1 B:PHE105 4.7 14.2 1.0 CD2 B:PHE105 4.7 13.9 1.0 C B:PHE105 4.8 15.8 1.0 N B:LYS137 4.8 11.9 1.0 CG B:ASP139 5.0 15.8 1.0 CB B:LYS137 5.0 11.6 1.0

Chlorine binding site 3 out of 3 in the W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - with Formamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - with Formamide within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl304 b:14.2 occ:1.00 O2 D:EDO305 3.1 14.8 1.0 O D:HOH466 3.1 15.8 1.0 N D:PHE105 3.2 14.9 1.0 NZ D:LYS137 3.4 12.5 1.0 CB D:ASP139 3.5 13.4 1.0 CA D:ASP139 3.7 13.1 1.0 CG D:LYS137 3.7 12.1 1.0 C2 D:EDO305 3.7 16.8 1.0 O D:CYS138 3.7 12.3 1.0 CA D:LEU104 3.8 15.2 1.0 CE D:LYS137 3.8 12.8 1.0 O D:VAL103 3.8 14.4 1.0 C1 D:EDO305 3.9 16.0 1.0 O D:LYS137 3.9 12.0 1.0 CB D:PHE105 4.0 15.1 1.0 C D:LEU104 4.0 14.4 1.0 N D:ASP139 4.1 12.7 1.0 C D:CYS138 4.1 12.2 1.0 CA D:PHE105 4.1 14.6 1.0 CG D:PHE105 4.2 14.2 1.0 CD2 D:LEU104 4.3 15.0 1.0 CD D:LYS137 4.3 12.2 1.0 O D:PHE105 4.5 18.4 1.0 C D:LYS137 4.5 12.7 1.0 CD2 D:PHE105 4.6 15.0 1.0 C D:VAL103 4.6 14.8 1.0 O1 D:EDO305 4.6 16.1 1.0 N D:LEU104 4.6 15.1 1.0 CB D:LEU104 4.7 15.0 1.0 CD1 D:PHE105 4.8 16.3 1.0 N D:LYS137 4.8 14.1 1.0 C D:PHE105 4.8 16.6 1.0 CG D:ASP139 4.9 14.2 1.0 CB D:LYS137 4.9 12.6 1.0

A.R.Oliveira, C.Mota, R.R.Manuel, G.Vilela-Alves, N.Pedrosa, V.Fourmond, K.Klymanska, C.Leger, B.Guigliarelli, M.J.Romao, I.C.Pereira. W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - with Formamide Nat.Chem.Biol. 2023.
ISSN: ESSN 1552-4469