Iron in PDB 2zpb: Nitrosylated Fe-Type Nitrile Hydratase

All present enzymatic activity of Nitrosylated Fe-Type Nitrile Hydratase:
4.2.1.84;

The structure of Nitrosylated Fe-Type Nitrile Hydratase, PDB code: 2zpb was solved by K.Hashimoto, H.Suzuki, K.Taniguchi, T.Noguchi, M.Yohda, M.Odaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	7.96 / 1.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.657, 60.548, 81.920, 90.00, 124.97, 90.00
R / Rfree (%)	16.7 / 18.6

The structure of Nitrosylated Fe-Type Nitrile Hydratase also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Iron atom in the Nitrosylated Fe-Type Nitrile Hydratase (pdb code 2zpb). 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 Nitrosylated Fe-Type Nitrile Hydratase, PDB code: 2zpb:

Iron binding site 1 out of 1 in the Nitrosylated Fe-Type Nitrile Hydratase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Nitrosylated Fe-Type Nitrile Hydratase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:7.9 occ:1.00 N A:CSO114 2.0 8.7 1.0 N A:SER113 2.0 8.4 1.0 N A:NO301 2.1 16.4 1.0 SG A:CSD112 2.2 7.0 1.0 SG A:CSO114 2.2 11.2 1.0 SG A:CYS109 2.3 7.5 1.0 C A:SER113 2.9 8.7 1.0 CA A:CSO114 3.0 8.9 1.0 CA A:SER113 3.0 8.8 1.0 OD2 A:CSD112 3.0 8.5 1.0 CB A:CSO114 3.1 8.8 1.0 OD A:CSO114 3.1 15.9 1.0 C A:CSD112 3.2 7.5 1.0 OD1 A:CSD112 3.2 8.0 1.0 O A:NO301 3.2 19.9 1.0 CB A:CSD112 3.2 7.6 1.0 CB A:CYS109 3.3 6.3 1.0 CA A:CSD112 3.5 6.7 1.0 OG A:SER113 3.8 12.3 1.0 N A:CSD112 3.8 7.0 1.0 CB A:SER113 4.0 9.2 1.0 O A:SER113 4.1 8.4 1.0 O A:CSD112 4.2 7.9 1.0 C A:CSO114 4.3 8.8 1.0 O A:CSO114 4.7 7.7 1.0 CA A:CYS109 4.7 5.8 1.0 NH2 B:ARG141 4.8 7.7 1.0 O A:CYS109 4.9 5.9 1.0 O A:HOH1349 4.9 17.4 1.0 O A:THR162 5.0 9.0 1.0

K.Hashimoto, H.Suzuki, K.Taniguchi, T.Noguchi, M.Yohda, M.Odaka. Catalytic Mechanism of Nitrile Hydratase Proposed By Time-Resolved X-Ray Crystallography Using A Novel Substrate, Tert-Butylisonitrile J.Biol.Chem. V. 283 36617 2008.
ISSN: ISSN 0021-9258
PubMed: 18948265
DOI: 10.1074/JBC.M806577200