Iron in PDB 1f4u: Thermophilic P450: CYP119 From Sulfolobus Solfactaricus

The structure of Thermophilic P450: CYP119 From Sulfolobus Solfactaricus, PDB code: 1f4u was solved by J.K.Yano, L.S.Koo, D.J.Schuller, H.Li, P.R.Ortiz De Montellano, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.03 / 2.69
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	76.969, 70.258, 107.538, 90.00, 102.35, 90.00
R / Rfree (%)	21.9 / 25.3

The binding sites of Iron atom in the Thermophilic P450: CYP119 From Sulfolobus Solfactaricus (pdb code 1f4u). 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 P450: CYP119 From Sulfolobus Solfactaricus, PDB code: 1f4u:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Thermophilic P450: CYP119 From Sulfolobus Solfactaricus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Thermophilic P450: CYP119 From Sulfolobus Solfactaricus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe410 b:34.3 occ:1.00 FE A:HEM410 0.0 34.3 1.0 NA A:HEM410 2.0 24.5 1.0 ND A:HEM410 2.0 27.2 1.0 NB A:HEM410 2.0 27.4 1.0 NC A:HEM410 2.0 28.4 1.0 N1 A:IMD411 2.1 34.3 1.0 SG A:CYS317 2.2 34.1 1.0 C2 A:IMD411 2.6 34.0 1.0 C4A A:HEM410 3.0 24.9 1.0 C1D A:HEM410 3.0 30.2 1.0 C1A A:HEM410 3.0 28.3 1.0 C1B A:HEM410 3.0 27.4 1.0 C4D A:HEM410 3.1 30.8 1.0 C4C A:HEM410 3.1 33.6 1.0 C4B A:HEM410 3.1 30.4 1.0 C1C A:HEM410 3.1 31.6 1.0 CHB A:HEM410 3.4 24.7 1.0 CHD A:HEM410 3.4 30.9 1.0 CHA A:HEM410 3.4 29.7 1.0 CB A:CYS317 3.5 38.1 1.0 C5 A:IMD411 3.5 28.3 1.0 CHC A:HEM410 3.5 29.6 1.0 N3 A:IMD411 3.9 32.3 1.0 CA A:CYS317 4.2 40.3 1.0 C3A A:HEM410 4.2 24.9 1.0 C2A A:HEM410 4.3 25.3 1.0 C2D A:HEM410 4.3 29.6 1.0 C4 A:IMD411 4.3 35.2 1.0 C2B A:HEM410 4.3 25.0 1.0 C3D A:HEM410 4.3 31.1 1.0 C3B A:HEM410 4.3 26.5 1.0 C3C A:HEM410 4.3 32.4 1.0 C2C A:HEM410 4.4 32.4 1.0 C A:CYS317 4.9 40.9 1.0 N A:GLY319 4.9 39.8 1.0

Iron binding site 2 out of 2 in the Thermophilic P450: CYP119 From Sulfolobus Solfactaricus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Thermophilic P450: CYP119 From Sulfolobus Solfactaricus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe410 b:37.2 occ:1.00 FE B:HEM410 0.0 37.2 1.0 NA B:HEM410 1.9 26.7 1.0 NB B:HEM410 2.0 28.3 1.0 ND B:HEM410 2.0 30.0 1.0 NC B:HEM410 2.0 33.2 1.0 N1 B:IMD411 2.1 37.1 1.0 SG B:CYS317 2.2 38.8 1.0 C2 B:IMD411 2.6 34.6 1.0 C4A B:HEM410 3.0 28.3 1.0 C1A B:HEM410 3.0 30.2 1.0 C1B B:HEM410 3.0 30.1 1.0 C1D B:HEM410 3.0 31.7 1.0 C4D B:HEM410 3.1 31.3 1.0 C4B B:HEM410 3.1 30.5 1.0 C4C B:HEM410 3.1 35.1 1.0 C1C B:HEM410 3.1 32.8 1.0 CHB B:HEM410 3.4 30.1 1.0 CHD B:HEM410 3.4 33.4 1.0 CHA B:HEM410 3.4 30.2 1.0 CB B:CYS317 3.5 41.9 1.0 C5 B:IMD411 3.5 33.7 1.0 CHC B:HEM410 3.5 31.0 1.0 N3 B:IMD411 3.9 36.5 1.0 CA B:CYS317 4.2 42.6 1.0 C3A B:HEM410 4.2 30.0 1.0 C2A B:HEM410 4.3 31.5 1.0 C2B B:HEM410 4.3 26.7 1.0 C2D B:HEM410 4.3 29.2 1.0 C4 B:IMD411 4.3 35.6 1.0 C3B B:HEM410 4.3 31.1 1.0 C3D B:HEM410 4.3 32.7 1.0 C3C B:HEM410 4.4 36.3 1.0 C2C B:HEM410 4.4 34.3 1.0 C B:CYS317 4.9 43.1 1.0 N B:GLY319 4.9 41.3 1.0

J.K.Yano, L.S.Koo, D.J.Schuller, H.Li, P.R.Ortiz De Montellano, T.L.Poulos. Crystal Structure of A Thermophilic Cytochrome P450 From the Archaeon Sulfolobus Solfataricus. J.Biol.Chem. V. 275 31086 2000.
ISSN: ISSN 0021-9258
PubMed: 10859321
DOI: 10.1074/JBC.M004281200