Iron in PDB 4kmm: M76H Variant of Human Ferrochelatase

All present enzymatic activity of M76H Variant of Human Ferrochelatase:
4.99.1.1;

The structure of M76H Variant of Human Ferrochelatase, PDB code: 4kmm 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)	71.26 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	88.138, 93.418, 110.219, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 25.9

The structure of M76H Variant of Human Ferrochelatase also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Iron atom in the M76H Variant of Human Ferrochelatase (pdb code 4kmm). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the M76H Variant of Human Ferrochelatase, PDB code: 4kmm:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the M76H 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 M76H Variant of Human Ferrochelatase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:62.9 occ:0.50 FE A:HEM501 0.0 62.9 0.5 NA A:HEM501 2.0 58.4 1.0 NB A:HEM501 2.1 60.3 1.0 ND A:HEM501 2.2 59.6 1.0 NC A:HEM501 2.2 59.5 1.0 C1A A:HEM501 2.9 57.8 0.5 C4B A:HEM501 3.0 60.1 0.5 C4D A:HEM501 3.0 58.4 0.5 C4A A:HEM501 3.1 58.1 0.5 C1B A:HEM501 3.1 60.0 0.5 C1C A:HEM501 3.2 58.5 0.5 C1D A:HEM501 3.2 59.9 0.5 C4C A:HEM501 3.3 59.3 0.5 CHA A:HEM501 3.3 57.9 0.5 CHC A:HEM501 3.4 58.6 0.5 CHB A:HEM501 3.5 59.0 0.5 NE2 A:HIS263 3.6 31.6 1.0 CHD A:HEM501 3.6 60.1 0.5 CE1 A:HIS263 3.8 28.1 1.0 C2A A:HEM501 4.1 56.4 0.5 C3B A:HEM501 4.2 60.4 0.5 C2B A:HEM501 4.2 59.8 0.5 C3A A:HEM501 4.2 56.9 0.5 C3D A:HEM501 4.3 57.5 0.5 C2D A:HEM501 4.4 58.8 0.5 C2C A:HEM501 4.4 57.8 0.5 C3C A:HEM501 4.4 58.2 0.5 CD2 A:HIS263 4.5 28.8 1.0 ND1 A:HIS263 4.7 27.5 1.0

Iron binding site 2 out of 6 in the M76H 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 M76H Variant of Human Ferrochelatase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:34.7 occ:1.00 FE1 A:FES502 0.0 34.7 1.0 S2 A:FES502 2.2 30.3 1.0 S1 A:FES502 2.2 25.2 1.0 SG A:CYS411 2.3 36.7 1.0 SG A:CYS406 2.3 36.0 1.0 CB A:CYS406 2.8 41.0 1.0 FE2 A:FES502 3.0 35.1 1.0 CB A:CYS411 3.1 36.4 1.0 O A:HOH650 4.1 26.6 1.0 CA A:CYS406 4.3 40.0 1.0 CB A:ASN408 4.6 39.2 1.0 CA A:CYS411 4.6 36.2 1.0 SG A:CYS403 4.6 36.9 1.0 SG A:CYS196 4.6 33.7 1.0 O A:ASN408 4.7 39.6 1.0 N A:CYS403 4.8 31.1 1.0 O A:HOH641 4.8 32.6 1.0 CB A:SER402 4.9 27.1 1.0

Iron binding site 3 out of 6 in the M76H 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 M76H Variant of Human Ferrochelatase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:35.1 occ:1.00 FE2 A:FES502 0.0 35.1 1.0 S1 A:FES502 2.2 25.2 1.0 SG A:CYS196 2.2 33.7 1.0 S2 A:FES502 2.2 30.3 1.0 SG A:CYS403 2.3 36.9 1.0 FE1 A:FES502 3.0 34.7 1.0 CB A:CYS196 3.5 26.3 1.0 CB A:CYS403 3.6 34.5 1.0 N A:CYS403 3.8 31.1 1.0 O B:HOH629 3.9 17.7 1.0 NH1 A:ARG272 4.0 43.6 1.0 O A:HOH650 4.0 26.6 1.0 CA A:CYS403 4.2 33.9 1.0 CB A:CYS406 4.3 41.0 1.0 SG A:CYS411 4.6 36.7 1.0 SG A:CYS406 4.7 36.0 1.0 CA A:CYS196 4.7 26.3 1.0 C A:SER402 5.0 28.9 1.0 CZ A:ARG272 5.0 42.6 1.0

Iron binding site 4 out of 6 in the M76H 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 M76H Variant of Human Ferrochelatase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:57.2 occ:0.50 FE B:HEM501 0.0 57.2 0.5 ND B:HEM501 2.1 54.6 1.0 NA B:HEM501 2.1 55.6 1.0 NB B:HEM501 2.1 55.7 1.0 NC B:HEM501 2.2 55.1 1.0 C4D B:HEM501 3.0 54.4 0.5 C1A B:HEM501 3.1 54.5 0.5 C1D B:HEM501 3.1 55.0 0.5 C4C B:HEM501 3.1 53.9 0.5 C4B B:HEM501 3.1 54.7 0.5 C1B B:HEM501 3.1 54.8 0.5 C1C B:HEM501 3.1 53.4 0.5 C4A B:HEM501 3.2 54.4 0.5 CHA B:HEM501 3.4 54.3 0.5 CHD B:HEM501 3.4 54.1 0.5 CHC B:HEM501 3.5 53.5 0.5 CHB B:HEM501 3.5 53.9 0.5 NE2 B:HIS263 3.8 32.0 1.0 CE1 B:HIS263 4.2 31.8 1.0 C3D B:HEM501 4.3 54.4 0.5 C2A B:HEM501 4.3 53.2 0.5 C2D B:HEM501 4.3 54.9 0.5 C3B B:HEM501 4.3 54.7 0.5 C2B B:HEM501 4.3 54.4 0.5 C3C B:HEM501 4.3 52.8 0.5 C2C B:HEM501 4.3 52.4 0.5 C3A B:HEM501 4.3 53.5 0.5 O B:HOH631 4.5 36.6 1.0 CD1 B:LEU98 4.6 72.7 1.0 CD2 B:HIS263 4.7 32.9 1.0 ND1 B:HIS76 4.9 28.2 0.5

Iron binding site 5 out of 6 in the M76H Variant of Human Ferrochelatase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of M76H Variant of Human Ferrochelatase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:40.1 occ:1.00 FE1 B:FES502 0.0 40.1 1.0 S2 B:FES502 2.2 37.1 1.0 S1 B:FES502 2.2 31.7 1.0 SG B:CYS406 2.3 39.0 1.0 SG B:CYS411 2.3 38.2 1.0 CB B:CYS406 2.7 39.5 1.0 FE2 B:FES502 2.9 38.7 1.0 CB B:CYS411 3.1 39.3 1.0 CA B:CYS406 4.2 39.6 1.0 O B:HOH635 4.4 23.3 1.0 SG B:CYS403 4.5 36.1 1.0 NH1 B:ARG272 4.6 51.0 1.0 SG B:CYS196 4.6 32.3 1.0 CA B:CYS411 4.6 39.0 1.0 O B:ASN408 4.7 41.5 1.0 N B:CYS403 4.7 33.4 1.0 CB B:ASN408 4.8 41.7 1.0 N B:CYS406 4.8 36.9 1.0 CB B:SER402 5.0 30.8 1.0

Iron binding site 6 out of 6 in the M76H Variant of Human Ferrochelatase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of M76H Variant of Human Ferrochelatase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:38.7 occ:1.00 FE2 B:FES502 0.0 38.7 1.0 S1 B:FES502 2.2 31.7 1.0 S2 B:FES502 2.2 37.1 1.0 SG B:CYS196 2.3 32.3 1.0 SG B:CYS403 2.3 36.1 1.0 FE1 B:FES502 2.9 40.1 1.0 CB B:CYS196 3.5 24.4 1.0 CB B:CYS403 3.8 35.6 1.0 N B:CYS403 4.0 33.4 1.0 O B:HOH617 4.1 28.8 1.0 CB B:CYS406 4.4 39.5 1.0 CA B:CYS403 4.4 34.8 1.0 SG B:CYS411 4.5 38.2 1.0 SG B:CYS406 4.6 39.0 1.0 NH1 B:ARG272 4.7 51.0 1.0 CA B:CYS196 4.8 24.8 1.0 OD1 B:ASP274 5.0 34.8 1.0

W.N.Lanzilotta, A.E.Medlock. M76H Variant of Human Ferrochelatase To Be Published.