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Iron in PDB 2pg6: Crystal Structure of Human Microsomal P450 2A6 L240C/N297Q

Enzymatic activity of Crystal Structure of Human Microsomal P450 2A6 L240C/N297Q

All present enzymatic activity of Crystal Structure of Human Microsomal P450 2A6 L240C/N297Q:
1.14.14.1;

Protein crystallography data

The structure of Crystal Structure of Human Microsomal P450 2A6 L240C/N297Q, PDB code: 2pg6 was solved by S.Sansen, M.H.Hsu, C.D.Stout, E.F.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 2.53
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 70.700, 158.245, 103.764, 90.00, 92.09, 90.00
R / Rfree (%) 20.9 / 26.1

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Human Microsomal P450 2A6 L240C/N297Q (pdb code 2pg6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Human Microsomal P450 2A6 L240C/N297Q, PDB code: 2pg6:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 2pg6

Go back to Iron Binding Sites List in 2pg6
Iron binding site 1 out of 4 in the Crystal Structure of Human Microsomal P450 2A6 L240C/N297Q


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 Human Microsomal P450 2A6 L240C/N297Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe500

b:21.6
occ:1.00
FE A:HEM500 0.0 21.6 1.0
NC A:HEM500 2.0 21.9 1.0
NA A:HEM500 2.1 20.5 1.0
NB A:HEM500 2.1 20.6 1.0
ND A:HEM500 2.1 21.8 1.0
SG A:CYS439 2.3 23.8 1.0
C1C A:HEM500 3.0 22.1 1.0
C1D A:HEM500 3.0 21.2 1.0
C4B A:HEM500 3.0 20.6 1.0
C4A A:HEM500 3.0 22.4 1.0
C4C A:HEM500 3.0 22.6 1.0
C1B A:HEM500 3.1 21.2 1.0
C4D A:HEM500 3.1 22.1 1.0
C1A A:HEM500 3.1 20.7 1.0
CHC A:HEM500 3.3 20.1 1.0
CHD A:HEM500 3.3 20.7 1.0
CHB A:HEM500 3.3 22.0 1.0
CHA A:HEM500 3.4 21.4 1.0
CB A:CYS439 3.4 24.7 1.0
C2C A:HEM500 4.2 21.9 1.0
C2D A:HEM500 4.2 23.6 1.0
C3A A:HEM500 4.3 21.4 1.0
C3C A:HEM500 4.3 22.8 1.0
C3B A:HEM500 4.3 22.0 1.0
C3D A:HEM500 4.3 21.6 1.0
C2A A:HEM500 4.3 21.4 1.0
C2B A:HEM500 4.3 20.7 1.0
CA A:CYS439 4.3 26.2 1.0

Iron binding site 2 out of 4 in 2pg6

Go back to Iron Binding Sites List in 2pg6
Iron binding site 2 out of 4 in the Crystal Structure of Human Microsomal P450 2A6 L240C/N297Q


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Human Microsomal P450 2A6 L240C/N297Q within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe500

b:29.0
occ:1.00
FE B:HEM500 0.0 29.0 1.0
NC B:HEM500 2.0 26.0 1.0
NB B:HEM500 2.0 26.3 1.0
ND B:HEM500 2.1 26.0 1.0
NA B:HEM500 2.1 27.7 1.0
SG B:CYS439 2.3 29.4 1.0
C1D B:HEM500 3.0 26.3 1.0
C1C B:HEM500 3.0 26.4 1.0
C4B B:HEM500 3.0 26.7 1.0
C1B B:HEM500 3.0 27.8 1.0
C4C B:HEM500 3.0 26.1 1.0
C4A B:HEM500 3.0 29.2 1.0
C4D B:HEM500 3.1 27.2 1.0
C1A B:HEM500 3.1 28.7 1.0
CHB B:HEM500 3.3 28.8 1.0
CHC B:HEM500 3.3 26.6 1.0
CHD B:HEM500 3.3 27.1 1.0
CHA B:HEM500 3.4 29.6 1.0
CB B:CYS439 3.4 29.5 1.0
C2C B:HEM500 4.2 25.3 1.0
C2D B:HEM500 4.2 28.0 1.0
C3B B:HEM500 4.2 27.5 1.0
C3C B:HEM500 4.2 26.7 1.0
C2B B:HEM500 4.3 28.8 1.0
C3A B:HEM500 4.3 28.2 1.0
C3D B:HEM500 4.3 27.9 1.0
C2A B:HEM500 4.3 27.4 1.0
CA B:CYS439 4.4 29.5 1.0
O B:GLY301 4.9 37.3 1.0

Iron binding site 3 out of 4 in 2pg6

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Iron binding site 3 out of 4 in the Crystal Structure of Human Microsomal P450 2A6 L240C/N297Q


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Human Microsomal P450 2A6 L240C/N297Q within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe500

b:24.2
occ:1.00
FE C:HEM500 0.0 24.2 1.0
NB C:HEM500 2.0 21.8 1.0
NC C:HEM500 2.0 23.2 1.0
NA C:HEM500 2.1 22.2 1.0
ND C:HEM500 2.1 22.7 1.0
SG C:CYS439 2.3 26.8 1.0
C1D C:HEM500 3.0 24.1 1.0
C4B C:HEM500 3.0 22.3 1.0
C1C C:HEM500 3.0 23.8 1.0
C4A C:HEM500 3.0 24.2 1.0
C1B C:HEM500 3.0 23.1 1.0
C4D C:HEM500 3.0 24.3 1.0
C4C C:HEM500 3.0 23.2 1.0
C1A C:HEM500 3.1 23.5 1.0
CHC C:HEM500 3.3 21.6 1.0
CHB C:HEM500 3.3 24.8 1.0
CHD C:HEM500 3.3 23.8 1.0
CHA C:HEM500 3.4 22.6 1.0
CB C:CYS439 3.4 26.0 1.0
C2D C:HEM500 4.2 24.5 1.0
C2C C:HEM500 4.2 24.7 1.0
C3A C:HEM500 4.2 24.4 1.0
C3B C:HEM500 4.2 24.7 1.0
C2B C:HEM500 4.3 24.1 1.0
C3D C:HEM500 4.3 26.0 1.0
C2A C:HEM500 4.3 23.9 1.0
C3C C:HEM500 4.3 24.7 1.0
CA C:CYS439 4.3 27.7 1.0
O C:GLY301 4.9 32.4 1.0

Iron binding site 4 out of 4 in 2pg6

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Iron binding site 4 out of 4 in the Crystal Structure of Human Microsomal P450 2A6 L240C/N297Q


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Human Microsomal P450 2A6 L240C/N297Q within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe500

b:26.6
occ:1.00
FE D:HEM500 0.0 26.6 1.0
NC D:HEM500 2.0 24.9 1.0
NA D:HEM500 2.1 25.4 1.0
NB D:HEM500 2.1 26.1 1.0
ND D:HEM500 2.1 25.9 1.0
SG D:CYS439 2.3 29.3 1.0
C1C D:HEM500 3.0 25.5 1.0
C4B D:HEM500 3.0 25.6 1.0
C1D D:HEM500 3.0 26.1 1.0
C4A D:HEM500 3.0 26.5 1.0
C1B D:HEM500 3.0 26.9 1.0
C4C D:HEM500 3.0 25.6 1.0
C4D D:HEM500 3.1 26.8 1.0
C1A D:HEM500 3.1 26.9 1.0
CHC D:HEM500 3.3 25.6 1.0
CHB D:HEM500 3.3 26.3 1.0
CHD D:HEM500 3.3 27.0 1.0
CB D:CYS439 3.3 30.9 1.0
CHA D:HEM500 3.4 26.5 1.0
C2C D:HEM500 4.2 23.9 1.0
C2D D:HEM500 4.2 28.1 1.0
C3A D:HEM500 4.2 26.4 1.0
C3C D:HEM500 4.2 25.0 1.0
C3B D:HEM500 4.3 26.6 1.0
CA D:CYS439 4.3 30.5 1.0
C3D D:HEM500 4.3 27.0 1.0
C2A D:HEM500 4.3 27.1 1.0
C2B D:HEM500 4.3 27.8 1.0
O D:GLY301 4.9 32.6 1.0

Reference:

S.Sansen, M.H.Hsu, C.D.Stout, E.F.Johnson. Structural Insight Into the Altered Substrate Specificity of Human Cytochrome P450 2A6 Mutants. Arch.Biochem.Biophys. V. 464 197 2007.
ISSN: ISSN 0003-9861
PubMed: 17540336
DOI: 10.1016/J.ABB.2007.04.028
Page generated: Sun Dec 13 14:51:07 2020

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