Iron in PDB 4fyz: Crystal Structure of Nitrosyl Cytochrome P450CIN

The structure of Crystal Structure of Nitrosyl Cytochrome P450CIN, PDB code: 4fyz was solved by Y.Madrona, S.M.Tripathi, H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.01 / 2.32
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.176, 68.437, 104.047, 90.00, 95.79, 90.00
R / Rfree (%)	19.3 / 25.1

The binding sites of Iron atom in the Crystal Structure of Nitrosyl Cytochrome P450CIN (pdb code 4fyz). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Nitrosyl Cytochrome P450CIN, PDB code: 4fyz:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Nitrosyl Cytochrome P450CIN


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Nitrosyl Cytochrome P450CIN within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:24.5 occ:1.00 FE A:HEM501 0.0 24.5 1.0 N A:NO503 1.8 30.0 1.0 NA A:HEM501 2.1 19.4 1.0 NB A:HEM501 2.2 27.5 1.0 ND A:HEM501 2.2 24.5 1.0 NC A:HEM501 2.2 24.8 1.0 O A:NO503 2.7 28.9 1.0 SG A:CYS347 2.8 19.7 1.0 C4A A:HEM501 3.1 23.3 1.0 C1B A:HEM501 3.1 28.1 1.0 C1A A:HEM501 3.2 19.2 1.0 C4B A:HEM501 3.2 24.1 1.0 C1D A:HEM501 3.2 24.1 1.0 C4D A:HEM501 3.2 24.6 1.0 C4C A:HEM501 3.2 26.0 1.0 C1C A:HEM501 3.2 24.4 1.0 CHB A:HEM501 3.4 21.7 1.0 CHA A:HEM501 3.5 21.8 1.0 CHD A:HEM501 3.5 21.5 1.0 CHC A:HEM501 3.5 20.7 1.0 CB A:CYS347 3.8 20.6 1.0 ND2 A:ASN242 4.2 15.7 1.0 CA A:CYS347 4.3 17.6 1.0 C3A A:HEM501 4.3 23.7 1.0 C2B A:HEM501 4.3 25.6 1.0 C2A A:HEM501 4.4 18.4 1.0 C3B A:HEM501 4.4 28.4 1.0 C2D A:HEM501 4.4 25.2 1.0 C3D A:HEM501 4.4 23.7 1.0 C3C A:HEM501 4.4 26.1 1.0 C2C A:HEM501 4.4 20.4 1.0 C9 A:CNL502 4.7 22.4 1.0 N A:LEU348 4.8 21.5 1.0 C2 A:CNL502 5.0 23.4 1.0 O A:CNL502 5.0 26.6 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Nitrosyl Cytochrome P450CIN


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Nitrosyl Cytochrome P450CIN within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:24.1 occ:1.00 FE B:HEM501 0.0 24.1 1.0 N B:NO503 1.8 26.5 1.0 NC B:HEM501 2.2 28.9 1.0 ND B:HEM501 2.2 23.7 1.0 NB B:HEM501 2.2 23.4 1.0 NA B:HEM501 2.3 22.5 1.0 O B:NO503 2.7 28.6 1.0 SG B:CYS347 2.8 19.5 1.0 C1D B:HEM501 3.1 21.1 1.0 C4C B:HEM501 3.1 28.4 1.0 C4D B:HEM501 3.2 22.4 1.0 C1C B:HEM501 3.2 26.2 1.0 C1B B:HEM501 3.2 23.1 1.0 C4B B:HEM501 3.2 25.4 1.0 C4A B:HEM501 3.2 22.2 1.0 C1A B:HEM501 3.3 20.2 1.0 CHD B:HEM501 3.4 22.9 1.0 CHC B:HEM501 3.5 24.8 1.0 CHB B:HEM501 3.5 18.1 1.0 CHA B:HEM501 3.6 23.7 1.0 CB B:CYS347 3.8 18.7 1.0 CA B:CYS347 4.2 18.1 1.0 C2D B:HEM501 4.3 22.1 1.0 C3C B:HEM501 4.3 24.7 1.0 ND2 B:ASN242 4.3 16.5 1.0 C3D B:HEM501 4.4 25.8 1.0 C2C B:HEM501 4.4 25.0 1.0 C3B B:HEM501 4.4 29.0 1.0 C2B B:HEM501 4.4 20.9 1.0 C3A B:HEM501 4.5 24.1 1.0 C2A B:HEM501 4.5 20.6 1.0 N B:LEU348 4.8 21.0 1.0 C9 B:CNL502 4.9 20.9 1.0 O B:LEU348 4.9 20.7 1.0 C B:CYS347 4.9 19.2 1.0

Y.Madrona, S.Tripathi, H.Li, T.L.Poulos. Crystal Structures of Substrate-Free and Nitrosyl Cytochrome P450CIN: Implications For O(2) Activation. Biochemistry V. 51 6623 2012.
ISSN: ISSN 0006-2960
PubMed: 22775403
DOI: 10.1021/BI300666U