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Iron in PDB 4mgj: Crystal Structure of Cytochrome P450 2B4 F429H in Complex with 4-Cpi

Enzymatic activity of Crystal Structure of Cytochrome P450 2B4 F429H in Complex with 4-Cpi

All present enzymatic activity of Crystal Structure of Cytochrome P450 2B4 F429H in Complex with 4-Cpi:
1.14.14.1;

Protein crystallography data

The structure of Crystal Structure of Cytochrome P450 2B4 F429H in Complex with 4-Cpi, PDB code: 4mgj was solved by Y.Yang, H.Zhang, D.Usharani, W.Bu, S.Im, M.Tarasev, F.Rwere, J.Meagher, C.Sun, J.Stuckey, S.Shaik, L.Waskell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.31 / 2.41
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 91.490, 91.490, 150.380, 90.00, 90.00, 120.00
R / Rfree (%) 21.9 / 24.8

Other elements in 4mgj:

The structure of Crystal Structure of Cytochrome P450 2B4 F429H in Complex with 4-Cpi also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450 2B4 F429H in Complex with 4-Cpi (pdb code 4mgj). 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 Crystal Structure of Cytochrome P450 2B4 F429H in Complex with 4-Cpi, PDB code: 4mgj:

Iron binding site 1 out of 1 in 4mgj

Go back to Iron Binding Sites List in 4mgj
Iron binding site 1 out of 1 in the Crystal Structure of Cytochrome P450 2B4 F429H in Complex with 4-Cpi


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Cytochrome P450 2B4 F429H in Complex with 4-Cpi within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:54.1
occ:1.00
 FE A:HEM501 0.0 54.1 1.0
NA A:HEM501 2.1 54.1 1.0
ND A:HEM501 2.1 52.6 1.0
NB A:HEM501 2.1 52.4 1.0
NC A:HEM501 2.1 52.8 1.0
N1 A:CPZ502 2.2 71.8 1.0
SG A:CYS436 2.5 57.6 1.0
C1A A:HEM501 3.1 51.2 1.0
C5 A:CPZ502 3.1 72.3 1.0
C4D A:HEM501 3.1 51.9 1.0
C1C A:HEM501 3.1 55.0 1.0
C4B A:HEM501 3.1 50.9 1.0
C4A A:HEM501 3.1 50.0 1.0
C1B A:HEM501 3.2 50.4 1.0
C1D A:HEM501 3.2 51.2 1.0
C4C A:HEM501 3.2 52.3 1.0
C2 A:CPZ502 3.3 74.6 1.0
CHA A:HEM501 3.4 50.2 1.0
CB A:CYS436 3.4 54.1 1.0
CHC A:HEM501 3.5 54.0 1.0
CHB A:HEM501 3.5 50.2 1.0
CHD A:HEM501 3.5 52.1 1.0
CA A:CYS436 4.1 54.2 1.0
N3 A:CPZ502 4.3 73.4 1.0
C2A A:HEM501 4.3 49.2 1.0
C3D A:HEM501 4.3 52.6 1.0
C3A A:HEM501 4.3 48.5 1.0
C2C A:HEM501 4.4 53.7 1.0
C2D A:HEM501 4.4 53.4 1.0
C2B A:HEM501 4.4 46.7 1.0
C3B A:HEM501 4.4 49.6 1.0
C3C A:HEM501 4.4 52.0 1.0
C4 A:CPZ502 4.4 75.3 1.0
CB A:ALA298 4.7 61.4 1.0
N A:LEU437 4.8 56.2 1.0
ND1 A:HIS429 4.8 51.8 1.0
C A:CYS436 4.8 58.8 1.0
N A:GLY438 4.9 53.0 1.0
O A:ALA298 4.9 65.5 1.0

Reference:

Y.Yang, H.Zhang, D.Usharani, W.Bu, S.Im, M.Tarasev, F.Rwere, N.M.Pearl, J.Meagher, C.Sun, J.Stuckey, S.Shaik, L.Waskell. Structural and Functional Characterization of A Cytochrome P450 2B4 F429H Mutant with An Axial Thiolate-Histidine Hydrogen Bond. Biochemistry V. 53 5080 2014.
ISSN: ISSN 0006-2960
PubMed: 25029089
DOI: 10.1021/BI5003794
Page generated: Mon Aug 5 06:54:18 2024

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