Iron in PDB 1f4t: Thermophilic P450: CYP119 From Sulfolobus Solfactaricus with 4- Phenylimidazole Bound

The structure of Thermophilic P450: CYP119 From Sulfolobus Solfactaricus with 4- Phenylimidazole Bound, PDB code: 1f4t 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)	44.40 / 1.93
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	76.958, 114.600, 185.201, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 27.4

The structure of Thermophilic P450: CYP119 From Sulfolobus Solfactaricus with 4- Phenylimidazole Bound also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Iron atom in the Thermophilic P450: CYP119 From Sulfolobus Solfactaricus with 4- Phenylimidazole Bound (pdb code 1f4t). 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 with 4- Phenylimidazole Bound, PDB code: 1f4t:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Thermophilic P450: CYP119 From Sulfolobus Solfactaricus with 4- Phenylimidazole Bound


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 with 4- Phenylimidazole Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe410 b:26.2 occ:1.00 FE A:HEM410 0.0 26.2 1.0 ND A:HEM410 2.0 24.5 1.0 NB A:HEM410 2.0 24.9 1.0 NA A:HEM410 2.0 25.1 1.0 NC A:HEM410 2.0 25.0 1.0 N3 A:PIM411 2.1 29.3 1.0 SG A:CYS317 2.7 28.5 1.0 C2 A:PIM411 3.0 30.1 1.0 C1D A:HEM410 3.0 25.2 1.0 C1B A:HEM410 3.0 25.5 1.0 C4A A:HEM410 3.0 25.9 1.0 C4D A:HEM410 3.0 25.8 1.0 C4B A:HEM410 3.0 25.1 1.0 C1A A:HEM410 3.0 25.1 1.0 C4C A:HEM410 3.1 25.7 1.0 C4 A:PIM411 3.1 29.6 1.0 C1C A:HEM410 3.1 25.6 1.0 CHB A:HEM410 3.4 25.4 1.0 CHD A:HEM410 3.4 25.5 1.0 CHA A:HEM410 3.4 24.1 1.0 CHC A:HEM410 3.5 24.0 1.0 CB A:CYS317 3.5 28.1 1.0 N1 A:PIM411 4.2 29.8 1.0 CA A:CYS317 4.2 29.1 1.0 C5 A:PIM411 4.2 30.6 1.0 C2B A:HEM410 4.3 25.1 1.0 C2D A:HEM410 4.3 25.9 1.0 C3A A:HEM410 4.3 24.5 1.0 C3D A:HEM410 4.3 25.8 1.0 C2A A:HEM410 4.3 25.1 1.0 C3B A:HEM410 4.3 25.6 1.0 C3C A:HEM410 4.3 26.6 1.0 C2C A:HEM410 4.3 26.7 1.0 N A:GLY319 4.8 28.0 1.0 C A:CYS317 4.9 29.6 1.0 N A:LEU318 4.9 29.1 1.0

Iron binding site 2 out of 2 in the Thermophilic P450: CYP119 From Sulfolobus Solfactaricus with 4- Phenylimidazole Bound


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 with 4- Phenylimidazole Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe410 b:25.0 occ:1.00 FE B:HEM410 0.0 25.0 1.0 ND B:HEM410 2.0 22.9 1.0 NA B:HEM410 2.0 23.0 1.0 NB B:HEM410 2.0 22.6 1.0 NC B:HEM410 2.0 23.5 1.0 N3 B:PIM411 2.1 28.9 1.0 SG B:CYS317 2.6 25.0 1.0 C2 B:PIM411 3.0 30.0 1.0 C1D B:HEM410 3.0 23.3 1.0 C4B B:HEM410 3.0 24.1 1.0 C4D B:HEM410 3.0 23.7 1.0 C1A B:HEM410 3.0 23.9 1.0 C4A B:HEM410 3.0 22.6 1.0 C1B B:HEM410 3.0 23.3 1.0 C1C B:HEM410 3.1 22.6 1.0 C4C B:HEM410 3.1 22.7 1.0 C4 B:PIM411 3.1 29.4 1.0 CHC B:HEM410 3.4 22.2 1.0 CHD B:HEM410 3.4 23.2 1.0 CHA B:HEM410 3.4 22.7 1.0 CHB B:HEM410 3.4 21.4 1.0 CB B:CYS317 3.5 22.6 1.0 CA B:CYS317 4.2 23.9 1.0 N1 B:PIM411 4.2 31.6 1.0 C2D B:HEM410 4.2 23.1 1.0 C5 B:PIM411 4.2 30.4 1.0 C3D B:HEM410 4.2 23.2 1.0 C2A B:HEM410 4.3 23.6 1.0 C2B B:HEM410 4.3 22.5 1.0 C3B B:HEM410 4.3 23.6 1.0 C3A B:HEM410 4.3 22.0 1.0 C3C B:HEM410 4.3 24.6 1.0 C2C B:HEM410 4.3 23.3 1.0 N B:GLY319 4.8 22.0 1.0 C B:CYS317 4.9 23.0 1.0 N B:LEU318 4.9 22.9 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