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

Protein crystallography data

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

Other elements in 1f4t:

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

Zinc (Zn) 1 atom

Iron Binding Sites:

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 1f4t

Go back to Iron Binding Sites List in 1f4t
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 1f4t

Go back to Iron Binding Sites List in 1f4t
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

Reference:

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
Page generated: Wed Jul 16 13:56:07 2025

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