Iron in PDB 7ctc: Fech - Inhibitor Complex 1

All present enzymatic activity of Fech - Inhibitor Complex 1:
4.99.1.1;

The structure of Fech - Inhibitor Complex 1, PDB code: 7ctc was solved by S.J.Lee, J.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	88.723, 93.737, 108.999, 90, 90, 90
R / Rfree (%)	20.7 / 22.1

The binding sites of Iron atom in the Fech - Inhibitor Complex 1 (pdb code 7ctc). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Fech - Inhibitor Complex 1, PDB code: 7ctc:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Fech - Inhibitor Complex 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Fech - Inhibitor Complex 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1501 b:49.7 occ:1.00 FE1 A:FES1501 0.0 49.7 1.0 S2 A:FES1501 2.2 73.1 1.0 S1 A:FES1501 2.2 56.9 1.0 SG A:CYS196 2.3 42.9 1.0 SG A:CYS403 2.4 38.0 1.0 FE2 A:FES1501 3.0 60.2 1.0 CB A:CYS403 3.2 42.5 1.0 O A:HOH1652 3.3 43.0 1.0 CB A:CYS196 3.5 36.9 1.0 N A:CYS403 3.9 42.6 1.0 CA A:CYS403 4.1 42.1 1.0 O A:HOH1776 4.2 42.1 1.0 CB A:CYS406 4.4 48.3 1.0 NE A:ARG272 4.6 50.4 1.0 SG A:CYS411 4.7 46.1 1.0 SG A:CYS406 4.8 49.1 1.0 CA A:CYS196 4.9 30.7 1.0 NH2 A:ARG272 5.0 46.8 1.0

Iron binding site 2 out of 4 in the Fech - Inhibitor Complex 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Fech - Inhibitor Complex 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1501 b:60.2 occ:1.00 FE2 A:FES1501 0.0 60.2 1.0 S2 A:FES1501 2.2 73.1 1.0 S1 A:FES1501 2.2 56.9 1.0 SG A:CYS411 2.4 46.1 1.0 SG A:CYS406 2.4 49.1 1.0 FE1 A:FES1501 3.0 49.7 1.0 CB A:CYS411 3.0 42.2 1.0 CB A:CYS406 3.1 48.3 1.0 CB A:ASN408 4.2 55.1 1.0 CA A:CYS406 4.2 46.3 1.0 O A:ASN408 4.3 51.0 1.0 CA A:CYS411 4.5 39.3 1.0 N A:CYS403 4.7 42.6 1.0 SG A:CYS196 4.7 42.9 1.0 N A:ASN408 4.7 51.3 1.0 CB A:CYS403 4.8 42.5 1.0 O A:HOH1607 4.8 50.2 1.0 CB A:SER402 4.9 44.6 1.0 CA A:ASN408 5.0 51.6 1.0 C A:CYS406 5.0 48.7 1.0

Iron binding site 3 out of 4 in the Fech - Inhibitor Complex 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Fech - Inhibitor Complex 1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe1501 b:42.1 occ:1.00 FE1 D:FES1501 0.0 42.1 1.0 S2 D:FES1501 2.2 62.0 1.0 S1 D:FES1501 2.2 44.3 1.0 SG D:CYS196 2.3 38.8 1.0 SG D:CYS403 2.4 42.2 1.0 FE2 D:FES1501 2.9 46.0 1.0 CB D:CYS403 3.1 43.5 1.0 O D:HOH1631 3.6 41.4 1.0 CB D:CYS196 3.6 33.7 1.0 N D:CYS403 3.9 45.5 1.0 CA D:CYS403 4.1 42.1 1.0 CB D:CYS406 4.5 45.8 1.0 SG D:CYS411 4.7 46.3 1.0 SG D:CYS406 4.7 53.0 1.0 NE D:ARG272 4.8 50.4 1.0 CA D:CYS196 4.9 26.0 1.0 NH2 A:ARG298 4.9 41.5 1.0

Iron binding site 4 out of 4 in the Fech - Inhibitor Complex 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Fech - Inhibitor Complex 1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe1501 b:46.0 occ:1.00 FE2 D:FES1501 0.0 46.0 1.0 S2 D:FES1501 2.2 62.0 1.0 S1 D:FES1501 2.2 44.3 1.0 SG D:CYS411 2.4 46.3 1.0 SG D:CYS406 2.4 53.0 1.0 FE1 D:FES1501 2.9 42.1 1.0 CB D:CYS411 3.1 42.7 1.0 CB D:CYS406 3.2 45.8 1.0 CA D:CYS406 4.3 44.8 1.0 O D:HOH1724 4.3 49.7 1.0 CB D:ASN408 4.4 51.5 1.0 SG D:CYS196 4.5 38.8 1.0 O D:ASN408 4.6 49.0 1.0 CA D:CYS411 4.6 39.9 1.0 O D:HOH1775 4.7 49.3 1.0 CB D:CYS403 4.7 43.5 1.0 N D:CYS403 4.8 45.5 1.0 N D:ASN408 4.9 54.8 1.0 O D:HOH1719 4.9 40.8 1.0 SG D:CYS403 4.9 42.2 1.0 CB D:SER402 5.0 45.1 1.0

S.J.Lee, J.Park. Fech - Inhibitor Complex 1 To Be Published.