Chlorine in PDB 8w1k: Crystal Structure of A Fatty Acid Decarboxylase From Corynebacterium Lipophiloflavum in Complex with Oleic Acid

The structure of Crystal Structure of A Fatty Acid Decarboxylase From Corynebacterium Lipophiloflavum in Complex with Oleic Acid, PDB code: 8w1k 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)	48.95 / 1.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	158.905, 170.367, 121.603, 90, 90, 90
R / Rfree (%)	16.8 / 19.7

The structure of Crystal Structure of A Fatty Acid Decarboxylase From Corynebacterium Lipophiloflavum in Complex with Oleic 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 Oleic Acid (pdb code 8w1k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A Fatty Acid Decarboxylase From Corynebacterium Lipophiloflavum in Complex with Oleic Acid, PDB code: 8w1k:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Fatty Acid Decarboxylase From Corynebacterium Lipophiloflavum in Complex with Oleic 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 Oleic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:38.2 occ:1.00 NH1 A:ARG345 3.3 25.5 1.0 N A:ASP336 3.6 23.0 1.0 CE3 A:TRP335 3.9 19.7 1.0 O A:HOH798 4.1 45.5 1.0 CB A:ASP336 4.2 30.9 1.0 CG A:ARG345 4.2 35.8 1.0 CA A:TRP335 4.2 26.1 1.0 C A:TRP335 4.4 24.7 1.0 CA A:ASP336 4.4 25.3 1.0 O A:HOH818 4.4 40.4 1.0 O A:ASP336 4.5 28.2 1.0 CD A:ARG345 4.5 19.0 1.0 CB A:TRP335 4.5 23.8 1.0 CZ A:ARG345 4.5 28.1 1.0 CG A:ASP336 4.6 65.3 1.0 OD2 A:ASP336 4.6 62.9 1.0 CZ3 A:TRP335 4.6 19.3 1.0 CD2 A:TRP335 4.8 23.3 1.0 CB A:ARG345 4.8 28.3 1.0 C A:ASP336 5.0 26.6 1.0 NE A:ARG345 5.0 23.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Fatty Acid Decarboxylase From Corynebacterium Lipophiloflavum in Complex with Oleic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A Fatty Acid Decarboxylase From Corynebacterium Lipophiloflavum in Complex with Oleic Acid within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl505 b:40.8 occ:1.00 NH1 C:ARG345 3.3 26.7 1.0 N C:ASP336 3.6 26.9 1.0 CE3 C:TRP335 4.0 26.3 1.0 O C:HOH747 4.1 46.4 1.0 CB C:ASP336 4.2 32.0 1.0 CA C:TRP335 4.2 27.6 1.0 CG C:ARG345 4.3 38.1 1.0 C C:TRP335 4.4 30.9 1.0 CA C:ASP336 4.4 32.8 1.0 O C:HOH719 4.5 42.3 1.0 CB C:TRP335 4.5 23.5 1.0 O C:ASP336 4.5 29.3 1.0 CD C:ARG345 4.5 24.7 1.0 OD2 C:ASP336 4.5 64.6 1.0 CZ C:ARG345 4.5 24.8 1.0 CG C:ASP336 4.6 59.2 1.0 CZ3 C:TRP335 4.7 24.8 1.0 CD2 C:TRP335 4.8 22.2 1.0 CB C:ARG345 4.8 28.2 1.0 C C:ASP336 5.0 25.9 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.