Chlorine in PDB 8w1j: Crystal Structure of A Fatty Acid Decarboxylase From Corynebacterium Lipophiloflavum in Complex with Palmitic Acid

The structure of Crystal Structure of A Fatty Acid Decarboxylase From Corynebacterium Lipophiloflavum in Complex with Palmitic Acid, PDB code: 8w1j was solved by W.C.Generoso, R.Y.Miyamoto, M.T.Murakami, L.M.Zanphorlin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.74 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	157.926, 171.018, 122.313, 90, 90, 90
R / Rfree (%)	17.6 / 21.3

The structure of Crystal Structure of A Fatty Acid Decarboxylase From Corynebacterium Lipophiloflavum in Complex with Palmitic Acid also contains other interesting chemical elements:

Iron

(Fe)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Fatty Acid Decarboxylase From Corynebacterium Lipophiloflavum in Complex with Palmitic Acid (pdb code 8w1j). 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 Crystal Structure of A Fatty Acid Decarboxylase From Corynebacterium Lipophiloflavum in Complex with Palmitic Acid, PDB code: 8w1j:

Chlorine binding site 1 out of 1 in the Crystal Structure of A Fatty Acid Decarboxylase From Corynebacterium Lipophiloflavum in Complex with Palmitic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Fatty Acid Decarboxylase From Corynebacterium Lipophiloflavum in Complex with Palmitic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:36.3 occ:1.00 NH1 A:ARG345 3.3 24.7 1.0 N A:ASP336 3.6 23.4 1.0 CE3 A:TRP335 3.9 22.1 1.0 O A:HOH632 4.1 43.7 1.0 CB A:ASP336 4.2 30.3 1.0 CA A:TRP335 4.2 25.3 1.0 CB A:ARG345 4.3 28.1 1.0 O A:HOH789 4.4 40.0 1.0 CA A:ASP336 4.4 27.7 1.0 O A:ASP336 4.4 31.8 1.0 C A:TRP335 4.4 26.6 1.0 CD A:ARG345 4.4 19.2 1.0 CZ A:ARG345 4.5 28.5 1.0 CB A:TRP335 4.5 21.5 1.0 CG A:ASP336 4.6 55.1 1.0 CZ3 A:TRP335 4.7 20.9 1.0 OD2 A:ASP336 4.8 54.4 1.0 CD2 A:TRP335 4.8 23.9 1.0 NE A:ARG345 4.9 20.2 1.0 C A:ASP336 4.9 26.1 1.0 CG A:ARG345 5.0 31.5 1.0

W.C.Generoso, A.H.S.Alvarenga, I.T.Simoes, R.Y.Miyamoto, F.Mandelli, C.A.Santos, C.R.Santos, F.M.Colombari, M.A.B.Morais, R.Fernandes, G.F.Persinoti, M.T.Murakami, L.M.Zanphorlin. Coordinated Conformational Changes Play A Pivotal Role in Unsaturated Fatty Acid Decarboxylation Into Renewable Olefin To Be Published.