Iron in PDB 9f0f: Coproporphyrin III - Lmcpfc Wt Complex Soaked with FE2+ and Anomalous Densities

All present enzymatic activity of Coproporphyrin III - Lmcpfc Wt Complex Soaked with FE2+ and Anomalous Densities:
4.99.1.9;

The structure of Coproporphyrin III - Lmcpfc Wt Complex Soaked with FE2+ and Anomalous Densities, PDB code: 9f0f was solved by T.Gabler, S.Hofauer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.17 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.158, 67.73, 62.494, 90, 103.22, 90
R / Rfree (%)	18.3 / 23.9

The structure of Coproporphyrin III - Lmcpfc Wt Complex Soaked with FE2+ and Anomalous Densities also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Coproporphyrin III - Lmcpfc Wt Complex Soaked with FE2+ and Anomalous Densities (pdb code 9f0f). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Coproporphyrin III - Lmcpfc Wt Complex Soaked with FE2+ and Anomalous Densities, PDB code: 9f0f:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Coproporphyrin III - Lmcpfc Wt Complex Soaked with FE2+ and Anomalous Densities


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Coproporphyrin III - Lmcpfc Wt Complex Soaked with FE2+ and Anomalous Densities within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe404 b:47.3 occ:0.46 N2 A:HT9401 2.0 46.7 1.0 N3 A:HT9401 2.0 38.4 1.0 N1 A:HT9401 2.1 41.8 1.0 N4 A:HT9401 2.3 42.6 1.0 OH A:TYR12 2.7 45.6 1.0 CZ A:TYR12 2.8 46.3 1.0 C8 A:HT9401 3.0 45.2 1.0 C7 A:HT9401 3.0 49.9 1.0 C12 A:HT9401 3.0 52.3 1.0 C4 A:HT9401 3.0 45.4 1.0 C13 A:HT9401 3.1 45.6 1.0 C3 A:HT9401 3.2 40.1 1.0 C17 A:HT9401 3.2 37.5 1.0 C18 A:HT9401 3.3 37.9 1.0 CE2 A:TYR12 3.3 42.4 1.0 CE1 A:TYR12 3.3 42.6 1.0 C14 A:HT9401 3.3 46.0 1.0 C9 A:HT9401 3.3 46.5 1.0 C20 A:HT9401 3.5 42.0 1.0 NE2 A:HIS182 3.5 48.1 1.0 C19 A:HT9401 3.6 37.0 1.0 CD2 A:HIS182 4.0 47.5 1.0 CD2 A:TYR12 4.1 39.2 1.0 CD1 A:TYR12 4.1 40.6 1.0 C5 A:HT9401 4.2 50.4 1.0 C6 A:HT9401 4.2 47.1 1.0 OE2 A:GLU263 4.2 54.7 1.0 C11 A:HT9401 4.3 47.4 1.0 C1 A:HT9401 4.3 45.2 1.0 C10 A:HT9401 4.3 41.2 1.0 CE1 A:HIS182 4.3 47.8 1.0 C2 A:HT9401 4.4 36.1 1.0 C16 A:HT9401 4.5 42.1 1.0 CG A:TYR12 4.5 42.0 1.0 C15 A:HT9401 4.5 40.2 1.0 CG A:HIS182 5.0 41.8 1.0

Iron binding site 2 out of 2 in the Coproporphyrin III - Lmcpfc Wt Complex Soaked with FE2+ and Anomalous Densities


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Coproporphyrin III - Lmcpfc Wt Complex Soaked with FE2+ and Anomalous Densities within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe405 b:76.6 occ:1.00 O A:HOH562 2.2 52.2 1.0 O A:HOH549 2.4 45.5 1.0 O A:HOH589 2.6 43.5 1.0 O A:HOH572 2.6 41.6 1.0 O A:HOH537 2.6 48.0 1.0 OD1 A:ASP267 4.2 57.9 1.0 OE2 A:GLU271 4.3 47.2 1.0 OE1 A:GLU271 4.3 45.2 1.0 O A:GLU222 4.4 36.0 1.0 CA A:SER221 4.6 36.0 1.0 CD A:GLU271 4.7 46.1 1.0 O A:HOH559 4.8 36.5 1.0 CG A:ASP267 4.9 56.3 1.0 C A:SER221 5.0 40.4 1.0

T.Gabler, S.Hofauer. Coproporphyrin III - Lmcpfc Wt Complex Soaked with FE2+ and Anomalous Densities To Be Published.