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Iron in PDB 4eji: Human Cytochrome P450 2A13 in Complex with Two Molecules of 4- (Methylnitrosamino)-1-(3-Puridyl)-1-Butanone

Enzymatic activity of Human Cytochrome P450 2A13 in Complex with Two Molecules of 4- (Methylnitrosamino)-1-(3-Puridyl)-1-Butanone

All present enzymatic activity of Human Cytochrome P450 2A13 in Complex with Two Molecules of 4- (Methylnitrosamino)-1-(3-Puridyl)-1-Butanone:
1.14.14.1;

Protein crystallography data

The structure of Human Cytochrome P450 2A13 in Complex with Two Molecules of 4- (Methylnitrosamino)-1-(3-Puridyl)-1-Butanone, PDB code: 4eji was solved by N.M.Devore, E.E.Scott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.90 / 2.10
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 122.807, 122.807, 194.213, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 23.6

Iron Binding Sites:

The binding sites of Iron atom in the Human Cytochrome P450 2A13 in Complex with Two Molecules of 4- (Methylnitrosamino)-1-(3-Puridyl)-1-Butanone (pdb code 4eji). 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 Human Cytochrome P450 2A13 in Complex with Two Molecules of 4- (Methylnitrosamino)-1-(3-Puridyl)-1-Butanone, PDB code: 4eji:

Iron binding site 1 out of 1 in 4eji

Go back to Iron Binding Sites List in 4eji
Iron binding site 1 out of 1 in the Human Cytochrome P450 2A13 in Complex with Two Molecules of 4- (Methylnitrosamino)-1-(3-Puridyl)-1-Butanone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Cytochrome P450 2A13 in Complex with Two Molecules of 4- (Methylnitrosamino)-1-(3-Puridyl)-1-Butanone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:31.1
occ:1.00
 FE A:HEM501 0.0 31.1 1.0
N1 A:0QA503 2.0 42.9 1.0
NA A:HEM501 2.1 28.2 1.0
NC A:HEM501 2.1 34.7 1.0
NB A:HEM501 2.1 30.6 1.0
ND A:HEM501 2.1 31.6 1.0
SG A:CYS439 2.3 31.5 1.0
C3 A:0QA503 2.9 47.0 1.0
C4 A:0QA503 3.1 46.4 1.0
C4B A:HEM501 3.1 30.4 1.0
C1C A:HEM501 3.1 35.0 1.0
C1A A:HEM501 3.1 32.4 1.0
C4A A:HEM501 3.1 33.0 1.0
C4C A:HEM501 3.1 36.1 1.0
C1B A:HEM501 3.1 32.4 1.0
C4D A:HEM501 3.1 31.3 1.0
C1D A:HEM501 3.1 31.6 1.0
CB A:CYS439 3.3 29.1 1.0
CHA A:HEM501 3.4 31.9 1.0
CHC A:HEM501 3.4 30.6 1.0
CHB A:HEM501 3.4 28.8 1.0
CHD A:HEM501 3.5 28.8 1.0
CA A:CYS439 4.2 30.6 1.0
C2 A:0QA503 4.2 50.0 1.0
C2C A:HEM501 4.3 36.7 1.0
C3B A:HEM501 4.3 30.4 1.0
C3C A:HEM501 4.3 37.0 1.0
C2A A:HEM501 4.3 33.7 1.0
C3A A:HEM501 4.3 29.4 1.0
C2B A:HEM501 4.3 30.6 1.0
C3D A:HEM501 4.4 30.5 1.0
C5 A:0QA503 4.4 48.2 1.0
C2D A:HEM501 4.4 31.4 1.0
CB A:ALA301 4.8 33.0 1.0
C1 A:0QA503 4.9 49.5 1.0
N A:GLY441 5.0 31.2 1.0
C A:CYS439 5.0 30.7 1.0

Reference:

N.M.Devore, E.E.Scott. Nicotine and 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone Binding and Access Channel in Human Cytochrome P450 2A6 and 2A13 Enzymes. J.Biol.Chem. V. 287 26576 2012.
ISSN: ISSN 0021-9258
PubMed: 22700965
DOI: 10.1074/JBC.M112.372813
Page generated: Mon Aug 5 01:39:41 2024

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