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Iron in PDB 3uas: Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator 9-Ethynylphenanthrene

Enzymatic activity of Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator 9-Ethynylphenanthrene

All present enzymatic activity of Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator 9-Ethynylphenanthrene:
1.14.14.1;

Protein crystallography data

The structure of Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator 9-Ethynylphenanthrene, PDB code: 3uas was solved by S.C.Gay, H.Zhang, M.B.Shah, C.D.Stout, J.R.Halpert, P.F.Hollenberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 78.08 / 2.94
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.155, 90.155, 148.623, 90.00, 90.00, 120.00
R / Rfree (%) 24.3 / 29.6

Iron Binding Sites:

The binding sites of Iron atom in the Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator 9-Ethynylphenanthrene (pdb code 3uas). 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 Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator 9-Ethynylphenanthrene, PDB code: 3uas:

Iron binding site 1 out of 1 in 3uas

Go back to Iron Binding Sites List in 3uas
Iron binding site 1 out of 1 in the Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator 9-Ethynylphenanthrene


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator 9-Ethynylphenanthrene within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe500

b:23.6
occ:1.00
 FE A:HEM500 0.0 23.6 1.0
NA A:HEM500 2.0 22.9 1.0
NB A:HEM500 2.1 23.7 1.0
ND A:HEM500 2.1 23.3 1.0
NC A:HEM500 2.1 23.1 1.0
SG A:CYS436 2.4 22.0 1.0
C1A A:HEM500 3.0 22.7 1.0
C4A A:HEM500 3.0 23.0 1.0
C1B A:HEM500 3.1 23.9 1.0
C4D A:HEM500 3.1 23.1 1.0
C4B A:HEM500 3.1 24.0 1.0
C4C A:HEM500 3.1 23.1 1.0
C1C A:HEM500 3.1 22.9 1.0
C1D A:HEM500 3.1 23.3 1.0
CHA A:HEM500 3.4 22.9 1.0
CB A:CYS436 3.4 22.4 1.0
CHB A:HEM500 3.4 23.5 1.0
CHC A:HEM500 3.5 23.6 1.0
CHD A:HEM500 3.5 23.1 1.0
CA A:CYS436 4.1 22.4 1.0
C2A A:HEM500 4.2 22.7 1.0
C3A A:HEM500 4.2 22.5 1.0
C2B A:HEM500 4.3 24.3 1.0
C3B A:HEM500 4.3 24.4 1.0
C3C A:HEM500 4.3 22.8 1.0
C3D A:HEM500 4.3 23.4 1.0
C2C A:HEM500 4.3 22.6 1.0
C2D A:HEM500 4.3 23.4 1.0
O A:ALA298 4.6 21.1 1.0
CB A:ALA298 4.6 20.7 1.0
CAG A:0BV501 4.6 24.2 1.0
C A:CYS436 4.7 22.5 1.0
N A:LEU437 4.9 22.6 1.0
C A:ALA298 5.0 21.0 1.0
N A:GLY438 5.0 22.6 1.0

Reference:

H.Zhang, S.C.Gay, M.Shah, M.Foroozesh, J.Liu, Y.Osawa, Q.Zhang, C.D.Stout, J.R.Halpert, P.F.Hollenberg. Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 By 9-Ethynylphenanthrene: Implications For Allosteric Modulation of Cytochrome P450 Catalysis. Biochemistry V. 52 355 2013.
ISSN: ISSN 0006-2960
PubMed: 23276288
DOI: 10.1021/BI301567Z
Page generated: Sun Aug 4 20:46:47 2024

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