Iron in PDB 1io8: Thermophilic Cytochrome P450 (CYP119) From Sulfolobus Solfataricus: High Resolution Structural Origin of Its Thermostability and Functional Properties

The structure of Thermophilic Cytochrome P450 (CYP119) From Sulfolobus Solfataricus: High Resolution Structural Origin of Its Thermostability and Functional Properties, PDB code: 1io8 was solved by S.-Y.Park, K.Yamane, S.Adachi, Y.Shiro, S.G.Sligar, Rikenstructural Genomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.522, 85.522, 221.462, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 30.7

The binding sites of Iron atom in the Thermophilic Cytochrome P450 (CYP119) From Sulfolobus Solfataricus: High Resolution Structural Origin of Its Thermostability and Functional Properties (pdb code 1io8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Thermophilic Cytochrome P450 (CYP119) From Sulfolobus Solfataricus: High Resolution Structural Origin of Its Thermostability and Functional Properties, PDB code: 1io8:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Thermophilic Cytochrome P450 (CYP119) From Sulfolobus Solfataricus: High Resolution Structural Origin of Its Thermostability and Functional Properties


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Thermophilic Cytochrome P450 (CYP119) From Sulfolobus Solfataricus: High Resolution Structural Origin of Its Thermostability and Functional Properties within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:21.4 occ:1.00 FE A:HEM401 0.0 21.4 1.0 NC A:HEM401 2.0 21.8 1.0 NA A:HEM401 2.0 18.4 1.0 ND A:HEM401 2.0 26.6 1.0 NB A:HEM401 2.1 26.4 1.0 O A:HOH402 2.1 18.2 1.0 SG A:CYS317 2.1 25.9 1.0 C4C A:HEM401 3.0 28.3 1.0 C1A A:HEM401 3.0 22.8 1.0 C4A A:HEM401 3.0 23.8 1.0 C1C A:HEM401 3.1 26.0 1.0 C1D A:HEM401 3.1 22.3 1.0 C4D A:HEM401 3.1 26.3 1.0 C1B A:HEM401 3.1 21.7 1.0 C4B A:HEM401 3.1 23.9 1.0 CHD A:HEM401 3.4 19.4 1.0 CB A:CYS317 3.4 18.7 1.0 CHB A:HEM401 3.5 21.3 1.0 CHA A:HEM401 3.5 21.7 1.0 CHC A:HEM401 3.5 24.0 1.0 O A:HOH424 3.9 25.0 1.0 CA A:CYS317 4.2 18.7 1.0 C2A A:HEM401 4.3 21.0 1.0 C3C A:HEM401 4.3 27.2 1.0 C3A A:HEM401 4.3 20.6 1.0 C2C A:HEM401 4.3 22.2 1.0 C2D A:HEM401 4.3 28.1 1.0 C3B A:HEM401 4.4 26.7 1.0 C3D A:HEM401 4.4 22.6 1.0 C2B A:HEM401 4.4 26.9 1.0 O A:ALA209 4.5 29.1 1.0 C A:CYS317 4.8 22.1 1.0 N A:LEU318 4.9 21.6 1.0 N A:GLY319 4.9 23.2 1.0

Iron binding site 2 out of 2 in the Thermophilic Cytochrome P450 (CYP119) From Sulfolobus Solfataricus: High Resolution Structural Origin of Its Thermostability and Functional Properties


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Thermophilic Cytochrome P450 (CYP119) From Sulfolobus Solfataricus: High Resolution Structural Origin of Its Thermostability and Functional Properties within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe901 b:19.9 occ:1.00 FE B:HEM901 0.0 19.9 1.0 O B:HOH902 1.8 20.4 1.0 NC B:HEM901 2.0 26.8 1.0 NB B:HEM901 2.0 26.2 1.0 NA B:HEM901 2.0 22.5 1.0 ND B:HEM901 2.0 29.4 1.0 SG B:CYS817 2.2 15.7 1.0 C4C B:HEM901 3.0 26.0 1.0 C4B B:HEM901 3.1 27.5 1.0 C1C B:HEM901 3.1 27.4 1.0 C1D B:HEM901 3.1 24.2 1.0 C1A B:HEM901 3.1 25.3 1.0 C1B B:HEM901 3.1 25.1 1.0 C4A B:HEM901 3.1 21.0 1.0 C4D B:HEM901 3.1 23.6 1.0 CB B:CYS817 3.4 16.5 1.0 CHD B:HEM901 3.4 24.1 1.0 CHC B:HEM901 3.5 29.4 1.0 CHB B:HEM901 3.5 22.1 1.0 CHA B:HEM901 3.5 24.8 1.0 CA B:CYS817 4.1 21.7 1.0 O B:ALA709 4.3 26.1 1.0 C3C B:HEM901 4.3 29.7 1.0 C2A B:HEM901 4.3 22.8 1.0 C2C B:HEM901 4.3 22.5 1.0 C3B B:HEM901 4.3 24.9 1.0 C2D B:HEM901 4.3 27.2 1.0 C3A B:HEM901 4.3 22.6 1.0 C2B B:HEM901 4.4 23.6 1.0 C3D B:HEM901 4.4 22.9 1.0 O B:HOH225 4.5 43.8 1.0 N B:GLY819 4.7 26.8 1.0 N B:LEU818 4.7 28.0 1.0 C B:CYS817 4.8 22.4 1.0

S.Y.Park, K.Yamane, S.Adachi, Y.Shiro, K.E.Weiss, S.A.Maves, S.G.Sligar. Thermophilic Cytochrome P450 (CYP119) From Sulfolobus Solfataricus: High Resolution Structure and Functional Properties J.Inorg.Biochem. V. 91 491 2002.
ISSN: ISSN 0162-0134
PubMed: 12237217
DOI: 10.1107/S0907444900008234