Chlorine in PDB 8cm7: W-Formate Dehydrogenase M405A From Desulfovibrio Vulgaris

The structure of W-Formate Dehydrogenase M405A From Desulfovibrio Vulgaris, PDB code: 8cm7 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)	75.06 / 2.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.874, 123.833, 149.891, 90, 90, 90
R / Rfree (%)	19.7 / 25.2

The structure of W-Formate Dehydrogenase M405A From Desulfovibrio Vulgaris also contains other interesting chemical elements:

Iron	(Fe)	16 atoms
Tungsten	(W)	1 atom

The binding sites of Chlorine atom in the W-Formate Dehydrogenase M405A From Desulfovibrio Vulgaris (pdb code 8cm7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the W-Formate Dehydrogenase M405A From Desulfovibrio Vulgaris, PDB code: 8cm7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the W-Formate Dehydrogenase M405A From Desulfovibrio Vulgaris


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 M405A From Desulfovibrio Vulgaris within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1115 b:70.3 occ:1.00 CG A:PRO198 4.2 47.4 1.0 NE2 A:HIS457 4.2 35.6 1.0 CD2 A:HIS457 4.3 39.2 1.0 NH1 A:ARG190 4.5 89.0 1.0 CE1 A:HIS457 4.7 37.8 1.0 CD2 A:LEU528 4.9 66.0 1.0 CG A:HIS457 4.9 39.0 1.0

Chlorine binding site 2 out of 2 in the W-Formate Dehydrogenase M405A From Desulfovibrio Vulgaris


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 M405A From Desulfovibrio Vulgaris within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1116 b:73.5 occ:1.00 OD1 A:ASN218 3.5 32.5 1.0 NZ A:LYS246 3.5 69.0 1.0 CB A:ALA217 3.9 29.2 1.0 O A:ARG754 4.0 33.5 1.0 O A:HOH1242 4.0 48.9 1.0 C A:ILE755 4.0 31.6 1.0 O A:ILE755 4.2 32.3 1.0 CG A:ASN218 4.2 29.9 1.0 O A:ASN214 4.3 28.4 1.0 CA A:ILE755 4.3 32.3 1.0 ND2 A:ASN218 4.3 30.8 1.0 N A:GLY756 4.3 30.4 1.0 C A:ARG754 4.6 33.9 1.0 CA A:GLY756 4.7 31.5 1.0 O A:HOH1201 4.7 39.1 1.0 N A:ILE755 4.8 31.1 1.0 C A:ALA217 4.9 26.2 1.0 CA A:ALA217 4.9 28.1 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