Iron in PDB 3aqi: H240A Variant of Human Ferrochelatase

All present enzymatic activity of H240A Variant of Human Ferrochelatase:
4.99.1.1;

The structure of H240A Variant of Human Ferrochelatase, PDB code: 3aqi was solved by W.N.Lanzilotta, A.E.Medlock, T.A.Dailey, H.A.Dailey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.88 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	88.051, 93.414, 110.659, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 21.4

The binding sites of Iron atom in the H240A Variant of Human Ferrochelatase (pdb code 3aqi). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the H240A Variant of Human Ferrochelatase, PDB code: 3aqi:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the H240A 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 H240A Variant of Human Ferrochelatase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:11.5 occ:1.00 FE1 A:FES501 0.0 11.5 1.0 S1 A:FES501 2.2 11.0 1.0 S2 A:FES501 2.2 13.0 1.0 SG A:CYS411 2.3 13.2 1.0 SG A:CYS406 2.4 12.2 1.0 FE2 A:FES501 2.7 10.9 1.0 CB A:CYS411 3.2 10.9 1.0 CB A:CYS406 3.4 11.0 1.0 O A:HOH687 4.1 17.9 1.0 CA A:CYS406 4.2 10.1 1.0 O A:HOH446 4.3 16.2 1.0 O A:HOH615 4.3 21.6 1.0 CB A:ASN408 4.5 14.8 1.0 O A:HOH570 4.6 20.8 1.0 SG A:CYS196 4.6 15.4 1.0 O A:ASN408 4.7 13.1 1.0 CA A:CYS411 4.7 13.5 1.0 SG A:CYS403 4.7 12.8 1.0 N A:CYS403 4.8 9.0 1.0 CB A:CYS403 4.8 8.6 1.0 N A:ASN408 4.9 14.7 1.0 CB A:SER402 5.0 16.3 1.0 O A:HOH554 5.0 20.5 1.0 CB A:CYS196 5.0 12.0 1.0

Iron binding site 2 out of 4 in the H240A 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 H240A Variant of Human Ferrochelatase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:10.9 occ:1.00 FE2 A:FES501 0.0 10.9 1.0 S1 A:FES501 2.2 11.0 1.0 S2 A:FES501 2.2 13.0 1.0 SG A:CYS403 2.3 12.8 1.0 SG A:CYS196 2.4 15.4 1.0 FE1 A:FES501 2.7 11.5 1.0 CB A:CYS403 3.4 8.6 1.0 CB A:CYS196 3.4 12.0 1.0 O A:HOH534 3.6 18.8 1.0 N A:CYS403 3.9 9.0 1.0 O A:HOH615 4.0 21.6 1.0 O B:HOH150 4.2 18.8 1.0 CA A:CYS403 4.2 10.3 1.0 SG A:CYS411 4.6 13.2 1.0 SG A:CYS406 4.6 12.2 1.0 CB A:CYS406 4.7 11.0 1.0 CA A:CYS196 4.7 11.4 1.0 O A:HOH687 4.9 17.9 1.0 NH2 B:ARG798 4.9 11.5 1.0 NE A:ARG272 4.9 18.3 1.0

Iron binding site 3 out of 4 in the H240A 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 H240A Variant of Human Ferrochelatase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:12.2 occ:1.00 FE1 B:FES501 0.0 12.2 1.0 S1 B:FES501 2.2 11.8 1.0 S2 B:FES501 2.2 13.9 1.0 SG B:CYS911 2.4 14.0 1.0 SG B:CYS906 2.4 12.8 1.0 FE2 B:FES501 2.7 11.5 1.0 CB B:CYS911 3.2 12.3 1.0 CB B:CYS906 3.4 13.9 1.0 O B:HOH414 4.0 22.1 1.0 CA B:CYS906 4.2 12.4 1.0 O B:HOH289 4.3 15.3 1.0 O B:HOH383 4.3 26.8 1.0 CB B:ASN908 4.5 16.0 1.0 O B:HOH255 4.5 25.3 1.0 SG B:CYS696 4.6 16.0 1.0 O B:ASN908 4.6 16.2 1.0 CA B:CYS911 4.7 12.6 1.0 SG B:CYS903 4.7 12.3 1.0 N B:CYS903 4.8 10.4 1.0 CB B:SER902 4.9 16.6 1.0 N B:ASN908 4.9 15.0 1.0 CB B:CYS903 4.9 10.9 1.0 CB B:CYS696 5.0 11.4 1.0

Iron binding site 4 out of 4 in the H240A 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 H240A Variant of Human Ferrochelatase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:11.5 occ:1.00 FE2 B:FES501 0.0 11.5 1.0 S2 B:FES501 2.2 13.9 1.0 S1 B:FES501 2.2 11.8 1.0 SG B:CYS696 2.3 16.0 1.0 SG B:CYS903 2.4 12.3 1.0 FE1 B:FES501 2.7 12.2 1.0 CB B:CYS903 3.4 10.9 1.0 CB B:CYS696 3.5 11.4 1.0 O B:HOH390 3.7 20.3 1.0 N B:CYS903 3.8 10.4 1.0 O B:HOH383 4.0 26.8 1.0 O B:HOH135 4.2 20.9 1.0 CA B:CYS903 4.2 11.8 1.0 SG B:CYS911 4.6 14.0 1.0 SG B:CYS906 4.6 12.8 1.0 CB B:CYS906 4.7 13.9 1.0 CA B:CYS696 4.8 11.2 1.0 NE B:ARG772 4.9 22.8 1.0 O B:HOH414 4.9 22.1 1.0 NH2 A:ARG298 4.9 13.5 1.0 C B:SER902 5.0 14.0 1.0 NH2 B:ARG772 5.0 19.8 1.0

W.N.Lanzilotta, A.E.Medlock, T.A.Dailey, H.A.Dailey. H240A Variant of Human Ferrochelatase To Be Published.