Iron 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:

Chlorine

(Cl)

1 atom

The binding sites of Iron 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 Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of A Fatty Acid Decarboxylase From Corynebacterium Lipophiloflavum in Complex with Palmitic Acid, PDB code: 8w1j:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 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 Iron with other atoms in the Fe 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:Fe502 b:22.4 occ:1.00 FE A:HEM502 0.0 22.4 1.0 ND A:HEM502 1.9 18.2 1.0 NA A:HEM502 2.0 18.5 1.0 NC A:HEM502 2.1 23.8 1.0 NB A:HEM502 2.1 24.1 1.0 O A:HOH813 2.3 33.6 1.0 SG A:CYS375 2.4 21.8 1.0 C4D A:HEM502 2.9 18.9 1.0 C1D A:HEM502 2.9 19.2 1.0 C1A A:HEM502 3.0 25.3 1.0 C4C A:HEM502 3.0 23.6 1.0 C4A A:HEM502 3.0 23.6 1.0 C1B A:HEM502 3.1 20.4 1.0 C4B A:HEM502 3.1 21.1 1.0 C1C A:HEM502 3.1 21.9 1.0 CB A:CYS375 3.3 15.4 1.0 CHA A:HEM502 3.3 19.7 1.0 CHD A:HEM502 3.3 20.9 1.0 CHB A:HEM502 3.5 22.2 1.0 CHC A:HEM502 3.5 19.3 1.0 O A:HOH812 4.0 31.7 1.0 C2D A:HEM502 4.1 20.4 1.0 C3D A:HEM502 4.1 22.5 1.0 CA A:CYS375 4.2 17.4 1.0 C2A A:HEM502 4.2 22.4 1.0 C3A A:HEM502 4.2 23.0 1.0 C3C A:HEM502 4.2 20.4 1.0 C2C A:HEM502 4.2 21.7 1.0 C2B A:HEM502 4.3 24.5 1.0 C3B A:HEM502 4.3 21.4 1.0 NE2 A:GLN364 4.5 21.0 1.0 CB A:PRO249 4.6 20.3 1.0 CD A:PRO376 4.8 20.2 1.0 C2 A:PLM503 5.0 31.8 1.0

Iron binding site 2 out of 3 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 Iron with other atoms in the Fe binding site number 2 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 B:Fe501 b:28.6 occ:1.00 FE B:HEM501 0.0 28.6 1.0 NA B:HEM501 2.0 26.1 1.0 NC B:HEM501 2.0 27.6 1.0 ND B:HEM501 2.1 29.1 1.0 NB B:HEM501 2.1 26.6 1.0 SG B:CYS375 2.4 27.1 1.0 O B:HOH796 2.6 37.9 1.0 C4A B:HEM501 3.0 26.2 1.0 C4C B:HEM501 3.0 26.8 1.0 C1A B:HEM501 3.0 28.9 1.0 C1C B:HEM501 3.0 25.5 1.0 C1D B:HEM501 3.1 28.4 1.0 C4B B:HEM501 3.1 23.1 1.0 C1B B:HEM501 3.1 23.7 1.0 C4D B:HEM501 3.1 31.6 1.0 CB B:CYS375 3.4 21.6 1.0 CHB B:HEM501 3.4 22.5 1.0 CHD B:HEM501 3.4 28.5 1.0 CHA B:HEM501 3.4 27.1 1.0 CHC B:HEM501 3.4 24.3 1.0 CA B:CYS375 4.2 27.6 1.0 C3A B:HEM501 4.2 22.4 1.0 C3C B:HEM501 4.2 25.4 1.0 C2C B:HEM501 4.2 24.1 1.0 C2A B:HEM501 4.3 26.3 1.0 C3B B:HEM501 4.3 25.2 1.0 C2B B:HEM501 4.3 24.8 1.0 C2D B:HEM501 4.3 30.1 1.0 C3D B:HEM501 4.3 30.3 1.0 NE2 B:GLN364 4.4 26.0 1.0 CB B:PRO249 4.6 29.7 1.0 C2 B:PLM502 4.9 42.6 1.0 CD B:PRO376 4.9 26.9 1.0 N B:GLY377 5.0 23.9 1.0

Iron binding site 3 out of 3 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 Iron with other atoms in the Fe binding site number 3 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 C:Fe501 b:24.2 occ:1.00 FE C:HEM501 0.0 24.2 1.0 ND C:HEM501 1.9 22.5 1.0 NA C:HEM501 2.0 21.1 1.0 NC C:HEM501 2.1 22.8 1.0 NB C:HEM501 2.1 23.9 1.0 O C:HOH764 2.2 33.1 1.0 SG C:CYS375 2.5 24.9 1.0 C1D C:HEM501 2.9 23.2 1.0 C4D C:HEM501 2.9 22.9 1.0 C1A C:HEM501 3.0 23.8 1.0 C4C C:HEM501 3.0 23.2 1.0 C4A C:HEM501 3.0 25.5 1.0 C1B C:HEM501 3.1 21.2 1.0 C4B C:HEM501 3.1 20.4 1.0 C1C C:HEM501 3.1 20.0 1.0 CB C:CYS375 3.3 22.7 1.0 CHD C:HEM501 3.3 25.6 1.0 CHA C:HEM501 3.3 23.4 1.0 CHB C:HEM501 3.5 20.7 1.0 CHC C:HEM501 3.5 20.3 1.0 O C:HOH635 3.9 34.3 1.0 C2D C:HEM501 4.1 25.8 1.0 C3D C:HEM501 4.1 26.6 1.0 CA C:CYS375 4.2 21.7 1.0 C2A C:HEM501 4.2 23.2 1.0 C3A C:HEM501 4.2 24.1 1.0 C3C C:HEM501 4.2 22.9 1.0 C2C C:HEM501 4.2 27.1 1.0 C2B C:HEM501 4.3 25.1 1.0 C3B C:HEM501 4.3 23.4 1.0 NE2 C:GLN364 4.4 25.0 1.0 CB C:PRO249 4.6 22.5 1.0 CD C:PRO376 4.8 20.9 1.0 C2 C:PLM502 4.8 34.8 1.0 C3 C:PLM502 4.9 41.8 1.0 C C:CYS375 5.0 21.4 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.