Iron in PDB 2cz6: Complex of Inactive Fe-Type Nhase with Cyclohexyl Isocyanide

All present enzymatic activity of Complex of Inactive Fe-Type Nhase with Cyclohexyl Isocyanide:
4.2.1.84;

The structure of Complex of Inactive Fe-Type Nhase with Cyclohexyl Isocyanide, PDB code: 2cz6 was solved by M.Nojiri, Y.Kawano, K.Hashimoto, N.Kamiya, Riken Structuralgenomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.54 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.917, 60.477, 81.796, 90.00, 124.92, 90.00
R / Rfree (%)	15.3 / 15.7

The structure of Complex of Inactive Fe-Type Nhase with Cyclohexyl Isocyanide also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Iron atom in the Complex of Inactive Fe-Type Nhase with Cyclohexyl Isocyanide (pdb code 2cz6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Complex of Inactive Fe-Type Nhase with Cyclohexyl Isocyanide, PDB code: 2cz6:

Iron binding site 1 out of 1 in the Complex of Inactive Fe-Type Nhase with Cyclohexyl Isocyanide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Complex of Inactive Fe-Type Nhase with Cyclohexyl Isocyanide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:5.8 occ:1.00 N A:NO301 1.7 8.7 1.0 N A:CSO114 2.0 6.0 1.0 N A:SER113 2.1 5.4 1.0 SG A:CSD112 2.2 5.8 1.0 SG A:CSO114 2.2 8.2 1.0 SG A:CYS109 2.4 6.0 1.0 C A:SER113 2.8 5.4 1.0 O A:NO301 2.9 16.2 1.0 CA A:SER113 2.9 5.2 1.0 CA A:CSO114 2.9 5.9 1.0 CB A:CSO114 3.1 7.1 1.0 OD1 A:CSD112 3.1 6.2 1.0 OD A:CSO114 3.1 11.4 1.0 C A:CSD112 3.1 5.6 1.0 OD2 A:CSD112 3.2 5.3 1.0 CB A:CSD112 3.3 6.5 1.0 CB A:CYS109 3.4 5.8 1.0 CA A:CSD112 3.7 6.4 1.0 OG A:SER113 3.8 8.1 1.0 CB A:SER113 3.9 5.9 1.0 N A:CSD112 3.9 5.7 1.0 O A:SER113 4.0 6.7 1.0 O A:CSD112 4.2 5.4 1.0 C A:CSO114 4.3 5.9 1.0 O A:HOH1373 4.4 5.9 0.5 O A:CSO114 4.7 5.7 1.0 O A:HOH1322 4.8 9.8 1.0 NH2 B:ARG141 4.8 6.1 1.0 CA A:CYS109 4.8 5.3 1.0 C A:LEU111 4.9 5.4 1.0 O A:CYS109 5.0 5.7 1.0 O A:THR162 5.0 8.0 1.0

M.Nojiri, Y.Kawano, K.Hashimoto, N.Kamiya. X-Ray Snap Shots of Inhibitor Binding Process in Photo-Reactive Nitrile Hydratase To Be Published.