Iron in PDB 4f4d: F337R Variant of Human Ferrochelatase

All present enzymatic activity of F337R Variant of Human Ferrochelatase:
4.99.1.1;

The structure of F337R Variant of Human Ferrochelatase, PDB code: 4f4d was solved by W.N.Lanzilotta, A.E.Medlock, T.E.Dailey, H.A.Dailey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	88.210, 93.511, 111.929, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 20.7

The structure of F337R Variant of Human Ferrochelatase also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Iron atom in the F337R Variant of Human Ferrochelatase (pdb code 4f4d). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the F337R Variant of Human Ferrochelatase, PDB code: 4f4d:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the F337R Variant of Human Ferrochelatase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of F337R Variant of Human Ferrochelatase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:16.8 occ:1.00 FE1 A:FES503 0.0 16.8 1.0 S2 A:FES503 2.2 18.5 1.0 S1 A:FES503 2.2 17.3 1.0 SG A:CYS411 2.3 17.7 1.0 SG A:CYS406 2.4 19.1 1.0 FE2 A:FES503 2.7 16.1 1.0 CB A:CYS411 3.1 17.8 1.0 CB A:CYS406 3.4 17.6 1.0 CA A:CYS406 4.2 17.8 1.0 O A:HOH627 4.3 20.3 1.0 O A:HOH829 4.3 29.9 1.0 O A:HOH813 4.5 26.4 1.0 O A:ASN408 4.6 18.1 1.0 CB A:ASN408 4.6 19.6 1.0 SG A:CYS196 4.6 19.2 1.0 CA A:CYS411 4.7 18.5 1.0 SG A:CYS403 4.7 17.1 1.0 N A:CYS403 4.8 15.6 1.0 O A:HOH802 4.8 29.4 1.0 CB A:CYS403 4.8 15.5 1.0 CB A:SER402 4.9 20.3 1.0 N A:ASN408 4.9 20.8 1.0

Iron binding site 2 out of 4 in the F337R Variant of Human Ferrochelatase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of F337R Variant of Human Ferrochelatase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:16.1 occ:1.00 FE2 A:FES503 0.0 16.1 1.0 S1 A:FES503 2.2 17.3 1.0 S2 A:FES503 2.3 18.5 1.0 SG A:CYS196 2.4 19.2 1.0 SG A:CYS403 2.4 17.1 1.0 FE1 A:FES503 2.7 16.8 1.0 CB A:CYS403 3.4 15.5 1.0 CB A:CYS196 3.5 15.3 1.0 O A:HOH681 3.6 22.3 1.0 N A:CYS403 3.9 15.6 1.0 O A:HOH813 4.0 26.4 1.0 CA A:CYS403 4.2 16.6 1.0 O A:HOH652 4.3 24.4 1.0 SG A:CYS411 4.6 17.7 1.0 SG A:CYS406 4.6 19.1 1.0 CB A:CYS406 4.6 17.6 1.0 CA A:CYS196 4.8 14.5 1.0 NE A:ARG272 4.9 13.2 0.5 NH2 B:ARG298 4.9 18.9 1.0 NH2 A:ARG272 5.0 12.1 0.5

Iron binding site 3 out of 4 in the F337R Variant of Human Ferrochelatase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of F337R Variant of Human Ferrochelatase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:18.0 occ:1.00 FE1 B:FES502 0.0 18.0 1.0 S2 B:FES502 2.2 19.8 1.0 S1 B:FES502 2.2 19.6 1.0 SG B:CYS406 2.3 20.2 1.0 SG B:CYS411 2.3 20.2 1.0 FE2 B:FES502 2.7 17.5 1.0 CB B:CYS411 3.2 18.2 1.0 CB B:CYS406 3.4 16.6 1.0 O B:HOH858 4.1 34.3 1.0 CA B:CYS406 4.2 17.8 1.0 O B:HOH665 4.3 22.7 1.0 O B:HOH838 4.5 31.5 1.0 CB B:ASN408 4.5 22.4 1.0 SG B:CYS196 4.6 20.9 1.0 O B:ASN408 4.6 23.1 1.0 CA B:CYS411 4.7 19.7 1.0 SG B:CYS403 4.7 16.8 1.0 N B:CYS403 4.8 16.4 1.0 O B:HOH841 4.8 37.5 1.0 CB B:CYS403 4.8 18.9 1.0 CB B:SER402 4.8 22.8 1.0 N B:ASN408 4.9 23.1 1.0 O B:HOH674 5.0 34.1 1.0 C B:CYS406 5.0 20.4 1.0 CB B:CYS196 5.0 18.0 1.0

Iron binding site 4 out of 4 in the F337R Variant of Human Ferrochelatase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of F337R Variant of Human Ferrochelatase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:17.5 occ:1.00 FE2 B:FES502 0.0 17.5 1.0 S1 B:FES502 2.2 19.6 1.0 S2 B:FES502 2.2 19.8 1.0 SG B:CYS403 2.3 16.8 1.0 SG B:CYS196 2.3 20.9 1.0 FE1 B:FES502 2.7 18.0 1.0 CB B:CYS403 3.4 18.9 1.0 CB B:CYS196 3.5 18.0 1.0 O B:HOH733 3.7 24.4 1.0 N B:CYS403 3.9 16.4 1.0 O B:HOH838 4.1 31.5 1.0 CA B:CYS403 4.2 17.9 1.0 O A:HOH665 4.3 23.9 1.0 CD B:ARG272 4.5 28.4 0.5 SG B:CYS411 4.6 20.2 1.0 SG B:CYS406 4.6 20.2 1.0 CB B:CYS406 4.7 16.6 1.0 CA B:CYS196 4.8 17.9 1.0 NH1 B:ARG272 4.9 13.9 0.5 NH2 A:ARG298 4.9 18.4 1.0 O B:HOH858 5.0 34.3 1.0

W.N.Lanzilotta, A.E.Medlock, T.E.Dailey, H.A.Dailey. F337R Variant of Human Ferrochelatase To Be Published.