Iron in PDB 4kla: E343D Variant of Human Ferrochelatase

All present enzymatic activity of E343D Variant of Human Ferrochelatase:
4.99.1.1;

The structure of E343D Variant of Human Ferrochelatase, PDB code: 4kla was solved by W.N.Lanzilotta, A.E.Medlock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.68 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.993, 93.429, 111.739, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 28.5

The binding sites of Iron atom in the E343D Variant of Human Ferrochelatase (pdb code 4kla). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the E343D Variant of Human Ferrochelatase, PDB code: 4kla:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the E343D 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 E343D Variant of Human Ferrochelatase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe504 b:8.6 occ:1.00 FE1 A:FES504 0.0 8.6 1.0 S2 A:FES504 2.2 10.1 1.0 S1 A:FES504 2.2 7.5 1.0 SG A:CYS411 2.3 5.8 1.0 SG A:CYS406 2.3 10.6 1.0 FE2 A:FES504 2.9 12.1 1.0 CB A:CYS411 3.2 11.7 1.0 CB A:CYS406 3.4 14.3 1.0 O A:VAL407 4.1 17.5 1.0 CA A:CYS406 4.5 14.2 1.0 SG A:CYS196 4.5 8.7 1.0 CA A:CYS411 4.6 11.7 1.0 O A:ASN408 4.8 13.8 1.0 CB A:ASN408 4.8 15.3 1.0 SG A:CYS403 4.8 12.2 1.0 N A:CYS403 4.9 9.8 1.0 CB A:SER402 5.0 7.4 1.0

Iron binding site 2 out of 4 in the E343D 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 E343D Variant of Human Ferrochelatase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe504 b:12.1 occ:1.00 FE2 A:FES504 0.0 12.1 1.0 S1 A:FES504 2.2 7.5 1.0 S2 A:FES504 2.2 10.1 1.0 SG A:CYS196 2.2 8.7 1.0 SG A:CYS403 2.3 12.2 1.0 FE1 A:FES504 2.9 8.6 1.0 CB A:CYS196 3.4 5.0 1.0 CB A:CYS403 3.5 11.0 1.0 O A:HOH699 3.8 13.9 1.0 N A:CYS403 3.9 9.8 1.0 O A:HOH724 4.2 4.2 1.0 CA A:CYS403 4.3 11.2 1.0 SG A:CYS411 4.6 5.8 1.0 SG A:CYS406 4.7 10.6 1.0 CB A:CYS406 4.7 14.3 1.0 CA A:CYS196 4.7 4.8 1.0 OD1 A:ASP274 4.8 2.0 1.0

Iron binding site 3 out of 4 in the E343D 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 E343D Variant of Human Ferrochelatase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe503 b:13.9 occ:1.00 FE1 B:FES503 0.0 13.9 1.0 S2 B:FES503 2.1 9.5 1.0 S1 B:FES503 2.2 9.0 1.0 SG B:CYS406 2.3 10.3 1.0 SG B:CYS411 2.3 10.4 1.0 FE2 B:FES503 2.9 13.7 1.0 CB B:CYS411 3.2 13.6 1.0 CB B:CYS406 3.2 11.5 1.0 O B:HOH673 4.2 32.2 1.0 CA B:CYS406 4.3 11.2 1.0 CB B:ASN408 4.5 14.2 1.0 SG B:CYS196 4.6 8.4 1.0 O B:HOH625 4.6 2.8 1.0 CB B:CYS403 4.6 10.8 1.0 O B:ASN408 4.6 13.6 1.0 SG B:CYS403 4.6 10.8 1.0 CA B:CYS411 4.7 14.1 1.0 N B:CYS403 4.8 10.4 1.0 N B:ASN408 4.9 14.2 1.0

Iron binding site 4 out of 4 in the E343D 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 E343D Variant of Human Ferrochelatase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe503 b:13.7 occ:1.00 FE2 B:FES503 0.0 13.7 1.0 S2 B:FES503 2.2 9.5 1.0 S1 B:FES503 2.2 9.0 1.0 SG B:CYS196 2.3 8.4 1.0 SG B:CYS403 2.3 10.8 1.0 FE1 B:FES503 2.9 13.9 1.0 CB B:CYS403 3.3 10.8 1.0 CB B:CYS196 3.5 6.3 1.0 N B:CYS403 3.9 10.4 1.0 O B:HOH625 4.0 2.8 1.0 CA B:CYS403 4.2 10.6 1.0 SG B:CYS411 4.6 10.4 1.0 OD1 B:ASP274 4.7 3.7 1.0 CB B:CYS406 4.7 11.5 1.0 SG B:CYS406 4.7 10.3 1.0 CA B:CYS196 4.8 6.4 1.0 NH1 B:ARG272 4.9 16.9 1.0 CD B:ARG272 4.9 17.0 1.0 NH2 A:ARG298 5.0 8.7 1.0

W.N.Lanzilotta, A.E.Medlock. E343D Variant of Human Ferrochelatase To Be Published.