Iron in PDB 7ct7: Fech - Inhibitor Complex 2

All present enzymatic activity of Fech - Inhibitor Complex 2:
4.99.1.1;

The structure of Fech - Inhibitor Complex 2, PDB code: 7ct7 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 (°)	88.588, 93.785, 108.457, 90, 90, 90
R / Rfree (%)	19.1 / 22.2

The structure of Fech - Inhibitor Complex 2 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Iron atom in the Fech - Inhibitor Complex 2 (pdb code 7ct7). 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 2, PDB code: 7ct7:
Jump to Iron binding site number: 1; 2; 3; 4;

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


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1501 b:135.7 occ:1.00 FE1 A:FES1501 0.0 135.7 1.0 S2 A:FES1501 2.2 145.2 1.0 S1 A:FES1501 2.2 167.2 1.0 SG A:CYS196 2.3 52.9 1.0 SG A:CYS403 2.4 60.7 1.0 CB A:CYS403 2.9 62.8 1.0 FE2 A:FES1501 3.1 154.7 1.0 O A:HOH1667 3.6 47.8 1.0 CB A:CYS196 3.7 43.0 1.0 N A:CYS403 3.7 65.7 1.0 CA A:CYS403 3.9 63.3 1.0 CB A:CYS406 4.2 68.8 1.0 O A:HOH1750 4.3 44.6 1.0 SG A:CYS411 4.6 65.8 1.0 SG A:CYS406 4.7 75.1 1.0 C A:SER402 4.9 65.1 1.0 CA A:CYS196 5.0 34.0 1.0 NH2 A:ARG272 5.0 50.3 1.0

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


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1501 b:154.7 occ:1.00 FE2 A:FES1501 0.0 154.7 1.0 S2 A:FES1501 2.2 145.2 1.0 S1 A:FES1501 2.2 167.2 1.0 SG A:CYS411 2.3 65.8 1.0 SG A:CYS406 2.3 75.1 1.0 CB A:CYS411 3.0 53.8 1.0 FE1 A:FES1501 3.1 135.7 1.0 CB A:CYS406 3.1 68.8 1.0 O A:ASN408 4.1 62.3 1.0 CB A:ASN408 4.1 73.2 1.0 CA A:CYS406 4.3 61.5 1.0 CA A:CYS411 4.5 48.1 1.0 SG A:CYS196 4.5 52.9 1.0 N A:ASN408 4.6 69.9 1.0 O A:HOH1752 4.7 61.6 1.0 CB A:CYS403 4.8 62.8 1.0 CA A:ASN408 4.8 69.2 1.0 C A:ASN408 4.9 65.4 1.0 C A:CYS406 4.9 58.7 1.0 N A:CYS403 4.9 65.7 1.0 N A:CYS411 5.0 48.0 1.0

Iron binding site 3 out of 4 in the Fech - Inhibitor Complex 2


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:139.6 occ:1.00 FE1 B:FES501 0.0 139.6 1.0 S2 B:FES501 2.2 141.1 1.0 S1 B:FES501 2.2 69.3 1.0 SG B:CYS196 2.3 51.6 1.0 SG B:CYS403 2.3 64.6 1.0 CB B:CYS403 2.9 64.1 1.0 FE2 B:FES501 3.1 138.5 1.0 O B:HOH676 3.6 47.8 1.0 N B:CYS403 3.7 67.8 1.0 CB B:CYS196 3.7 42.0 1.0 O B:HOH756 3.8 59.9 1.0 CA B:CYS403 3.9 62.4 1.0 O B:HOH749 4.1 45.7 1.0 CB B:CYS406 4.3 69.4 1.0 SG B:CYS411 4.7 67.2 1.0 SG B:CYS406 4.8 74.8 1.0 NE B:ARG272 4.8 58.1 0.9 C B:SER402 4.9 65.2 1.0 OD1 B:ASP274 5.0 39.7 1.0 CA B:CYS196 5.0 34.0 1.0

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


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:138.5 occ:1.00 FE2 B:FES501 0.0 138.5 1.0 S2 B:FES501 2.2 141.1 1.0 S1 B:FES501 2.2 69.3 1.0 SG B:CYS411 2.3 67.2 1.0 SG B:CYS406 2.3 74.8 1.0 CB B:CYS411 3.0 58.6 1.0 FE1 B:FES501 3.1 139.6 1.0 CB B:CYS406 3.1 69.4 1.0 O B:HOH756 3.7 59.9 1.0 CA B:CYS406 4.2 59.5 1.0 O B:ASN408 4.3 64.8 1.0 CB B:ASN408 4.4 76.9 1.0 SG B:CYS196 4.5 51.6 1.0 CA B:CYS411 4.5 54.9 1.0 CB B:CYS403 4.7 64.1 1.0 N B:ASN408 4.8 72.2 1.0 N B:CYS403 4.8 67.8 1.0 C B:CYS406 5.0 57.2 1.0 N B:CYS411 5.0 49.4 1.0

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