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Iron in PDB 2zpe: Nitrosylated Fe-Type Nitrile Hydratase with Tert- Butylisonitrile

Enzymatic activity of Nitrosylated Fe-Type Nitrile Hydratase with Tert- Butylisonitrile

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

Protein crystallography data

The structure of Nitrosylated Fe-Type Nitrile Hydratase with Tert- Butylisonitrile, PDB code: 2zpe 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) 8.00 / 1.48
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 113.976, 60.002, 81.707, 90.00, 125.08, 90.00
R / Rfree (%) 16.5 / 19.3

Other elements in 2zpe:

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

Magnesium (Mg) 6 atoms

Iron Binding Sites:

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

Iron binding site 1 out of 1 in 2zpe

Go back to Iron Binding Sites List in 2zpe
Iron binding site 1 out of 1 in the Nitrosylated Fe-Type Nitrile Hydratase with Tert- Butylisonitrile


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 with Tert- Butylisonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe300

b:7.2
occ:1.00
 N A:CSO114 2.0 7.9 1.0
N A:NO301 2.0 11.7 1.0
N A:SER113 2.0 6.9 1.0
SG A:CSD112 2.2 7.1 1.0
SG A:CSO114 2.2 10.7 1.0
SG A:CYS109 2.4 7.4 1.0
C A:SER113 2.9 7.1 1.0
CA A:CSO114 3.0 8.3 1.0
CA A:SER113 3.0 6.8 1.0
O A:NO301 3.0 16.7 1.0
CB A:CSO114 3.1 8.9 1.0
OD1 A:CSD112 3.1 7.7 1.0
C A:CSD112 3.1 6.3 1.0
OD A:CSO114 3.1 14.2 1.0
OD2 A:CSD112 3.2 6.8 1.0
CB A:CSD112 3.2 7.0 1.0
CB A:CYS109 3.4 7.2 1.0
CA A:CSD112 3.5 6.2 1.0
OG A:SER113 3.8 9.5 1.0
N A:CSD112 3.8 6.7 1.0
CB A:SER113 4.0 7.4 1.0
O A:SER113 4.1 7.2 1.0
O A:CSD112 4.2 5.7 1.0
C A:CSO114 4.3 8.0 1.0
O A:CSO114 4.7 7.3 1.0
NH2 B:ARG141 4.7 8.5 1.0
CA A:CYS109 4.8 6.7 1.0
O A:HOH1654 4.9 16.9 1.0
O A:CYS109 5.0 6.8 1.0
O A:THR162 5.0 10.2 1.0
C A:LEU111 5.0 6.8 1.0

Reference:

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
Page generated: Mon Aug 4 22:50:19 2025

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