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Iron in PDB 5t6q: Structure of Cytochrome P450 4B1 (CYP4B1) Complexed with Octane: An N- Alkane and Fatty Acid Omega-Hydroxylase with A Covalently Bound Heme

Enzymatic activity of Structure of Cytochrome P450 4B1 (CYP4B1) Complexed with Octane: An N- Alkane and Fatty Acid Omega-Hydroxylase with A Covalently Bound Heme

All present enzymatic activity of Structure of Cytochrome P450 4B1 (CYP4B1) Complexed with Octane: An N- Alkane and Fatty Acid Omega-Hydroxylase with A Covalently Bound Heme:
1.14.14.1;

Protein crystallography data

The structure of Structure of Cytochrome P450 4B1 (CYP4B1) Complexed with Octane: An N- Alkane and Fatty Acid Omega-Hydroxylase with A Covalently Bound Heme, PDB code: 5t6q was solved by M.Hsu, E.F.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.37 / 2.70
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 109.678, 109.678, 125.817, 90.00, 90.00, 120.00
R / Rfree (%) 20 / 24

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Cytochrome P450 4B1 (CYP4B1) Complexed with Octane: An N- Alkane and Fatty Acid Omega-Hydroxylase with A Covalently Bound Heme (pdb code 5t6q). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Structure of Cytochrome P450 4B1 (CYP4B1) Complexed with Octane: An N- Alkane and Fatty Acid Omega-Hydroxylase with A Covalently Bound Heme, PDB code: 5t6q:

Iron binding site 1 out of 1 in 5t6q

Go back to Iron Binding Sites List in 5t6q
Iron binding site 1 out of 1 in the Structure of Cytochrome P450 4B1 (CYP4B1) Complexed with Octane: An N- Alkane and Fatty Acid Omega-Hydroxylase with A Covalently Bound Heme


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Cytochrome P450 4B1 (CYP4B1) Complexed with Octane: An N- Alkane and Fatty Acid Omega-Hydroxylase with A Covalently Bound Heme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe600

b:43.6
occ:1.00
 FE A:HEM600 0.0 43.6 1.0
ND A:HEM600 1.9 36.6 1.0
NB A:HEM600 1.9 40.0 1.0
NA A:HEM600 1.9 38.5 1.0
NC A:HEM600 1.9 42.2 1.0
SG A:CYS448 2.2 36.1 1.0
C1B A:HEM600 3.0 44.9 1.0
C1D A:HEM600 3.0 46.1 1.0
C4C A:HEM600 3.0 39.6 1.0
C4A A:HEM600 3.0 40.3 1.0
C1A A:HEM600 3.0 37.7 1.0
C4B A:HEM600 3.0 44.6 1.0
C4D A:HEM600 3.0 40.7 1.0
C1C A:HEM600 3.0 35.8 1.0
CHB A:HEM600 3.4 45.5 1.0
CB A:CYS448 3.4 38.7 1.0
C8 A:OCT601 3.4 35.1 1.0
CHD A:HEM600 3.4 37.3 1.0
CHC A:HEM600 3.4 52.5 1.0
CHA A:HEM600 3.4 46.2 1.0
C7 A:OCT601 4.0 45.7 1.0
CA A:CYS448 4.1 38.5 1.0
C2B A:HEM600 4.2 50.4 1.0
C2D A:HEM600 4.2 41.0 1.0
C3B A:HEM600 4.3 46.7 1.0
C3A A:HEM600 4.3 43.2 1.0
C3C A:HEM600 4.3 41.7 1.0
C2A A:HEM600 4.3 37.3 1.0
C3D A:HEM600 4.3 39.9 1.0
C2C A:HEM600 4.3 38.4 1.0
C A:CYS448 4.9 46.9 1.0
N A:ILE449 4.9 38.6 1.0
N A:GLY450 5.0 35.6 1.0

Reference:

M.H.Hsu, B.R.Baer, A.E.Rettie, E.F.Johnson. The Crystal Structure of Cytochrome P450 4B1 (CYP4B1) Monooxygenase Complexed with Octane Discloses Several Structural Adaptations For Omega-Hydroxylation. J. Biol. Chem. V. 292 5610 2017.
ISSN: ESSN 1083-351X
PubMed: 28167536
DOI: 10.1074/JBC.M117.775494
Page generated: Wed Aug 6 01:28:15 2025

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