Iron in PDB 4mk4: S197C Variant of Human Ferrochelatase.

All present enzymatic activity of S197C Variant of Human Ferrochelatase.:
4.99.1.1;

The structure of S197C Variant of Human Ferrochelatase., PDB code: 4mk4 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)	60.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	88.173, 93.431, 111.737, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 27.7

The binding sites of Iron atom in the S197C Variant of Human Ferrochelatase. (pdb code 4mk4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the S197C Variant of Human Ferrochelatase., PDB code: 4mk4:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the S197C 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 S197C Variant of Human Ferrochelatase. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:43.4 occ:1.00 FE1 A:FES501 0.0 43.4 1.0 S2 A:FES501 2.2 41.3 1.0 S1 A:FES501 2.2 36.9 1.0 SG A:CYS411 2.3 40.4 1.0 SG A:CYS406 2.3 40.1 1.0 FE2 A:FES501 3.0 39.8 1.0 CB A:CYS411 3.2 41.6 1.0 CB A:CYS406 3.6 40.9 1.0 O A:HOH616 3.9 42.7 1.0 CA A:CYS406 4.3 41.1 1.0 SG A:CYS403 4.5 38.4 1.0 CB A:ASN408 4.5 44.3 1.0 O A:ASN408 4.6 43.8 1.0 CA A:CYS411 4.6 41.9 1.0 SG A:CYS196 4.7 33.5 1.0 N A:CYS403 4.9 37.6 1.0 N A:ASN408 5.0 44.2 1.0

Iron binding site 2 out of 4 in the S197C 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 S197C Variant of Human Ferrochelatase. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:39.8 occ:1.00 FE2 A:FES501 0.0 39.8 1.0 S1 A:FES501 2.2 36.9 1.0 S2 A:FES501 2.2 41.3 1.0 SG A:CYS196 2.3 33.5 1.0 SG A:CYS403 2.3 38.4 1.0 FE1 A:FES501 3.0 43.4 1.0 CB A:CYS196 3.3 28.0 1.0 O A:HOH644 3.6 42.2 1.0 CB A:CYS403 3.9 39.9 1.0 N A:CYS403 4.0 37.6 1.0 CA A:CYS403 4.4 39.3 1.0 SG A:CYS411 4.6 40.4 1.0 CA A:CYS196 4.7 27.6 1.0 SG A:CYS406 4.7 40.1 1.0 OD1 A:ASP274 4.9 30.5 1.0

Iron binding site 3 out of 4 in the S197C 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 S197C Variant of Human Ferrochelatase. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:45.3 occ:1.00 FE1 B:FES501 0.0 45.3 1.0 S2 B:FES501 2.2 45.2 1.0 S1 B:FES501 2.2 43.4 1.0 SG B:CYS406 2.3 46.8 1.0 SG B:CYS411 2.3 40.2 1.0 FE2 B:FES501 3.0 46.5 1.0 CB B:CYS411 3.2 41.5 1.0 CB B:CYS406 3.6 44.8 1.0 CA B:CYS406 4.3 44.3 1.0 CB B:ASN408 4.4 44.8 1.0 CB B:CYS403 4.5 39.3 1.0 O B:ASN408 4.6 44.7 1.0 CA B:CYS411 4.6 41.7 1.0 SG B:CYS196 4.7 32.6 1.0 N B:CYS403 4.8 37.5 1.0 SG B:CYS403 4.9 41.4 1.0 N B:ASN408 4.9 45.2 1.0 NH1 B:ARG272 5.0 45.1 1.0 CB B:CYS196 5.0 29.2 1.0

Iron binding site 4 out of 4 in the S197C 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 S197C Variant of Human Ferrochelatase. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:46.5 occ:1.00 FE2 B:FES501 0.0 46.5 1.0 S1 B:FES501 2.2 43.4 1.0 S2 B:FES501 2.2 45.2 1.0 SG B:CYS403 2.3 41.4 1.0 SG B:CYS196 2.3 32.6 1.0 FE1 B:FES501 3.0 45.3 1.0 CB B:CYS403 3.0 39.3 1.0 CB B:CYS196 3.4 29.2 1.0 N B:CYS403 3.9 37.5 1.0 NH1 B:ARG272 3.9 45.1 1.0 CA B:CYS403 4.0 39.0 1.0 SG B:CYS406 4.7 46.8 1.0 SG B:CYS411 4.7 40.2 1.0 OD1 B:ASP274 4.7 27.6 1.0 CA B:CYS196 4.8 28.8 1.0

W.N.Lanzilotta, A.E.Medlock, T.E.Dailey, H.A.Dailey. S197C Variant of Human Ferrochelatase. To Be Published.