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Iron in PDB 2uwh: Cytochrome P450 BM3 Mutant in Complex with Palmitic Acid

Enzymatic activity of Cytochrome P450 BM3 Mutant in Complex with Palmitic Acid

All present enzymatic activity of Cytochrome P450 BM3 Mutant in Complex with Palmitic Acid:
1.14.14.1;

Protein crystallography data

The structure of Cytochrome P450 BM3 Mutant in Complex with Palmitic Acid, PDB code: 2uwh was solved by W.-C.Huang, M.G.Joyce, A.C.G.Westlake, G.C.K.Roberts, P.C.E.Moody, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 114.71 / 2.8
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 116.827, 147.030, 183.402, 90.00, 90.00, 90.00
R / Rfree (%) 21.5 / 29.9

Iron Binding Sites:

The binding sites of Iron atom in the Cytochrome P450 BM3 Mutant in Complex with Palmitic Acid (pdb code 2uwh). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Cytochrome P450 BM3 Mutant in Complex with Palmitic Acid, PDB code: 2uwh:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 2uwh

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Iron binding site 1 out of 6 in the Cytochrome P450 BM3 Mutant in Complex with Palmitic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome P450 BM3 Mutant in Complex with Palmitic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1459

b:17.2
occ:1.00
FE A:HEM1459 0.0 17.2 1.0
NC A:HEM1459 2.0 15.5 1.0
NB A:HEM1459 2.0 15.4 1.0
ND A:HEM1459 2.0 14.8 1.0
NA A:HEM1459 2.0 15.8 1.0
SG A:CYS400 2.2 17.1 1.0
C1C A:HEM1459 3.0 17.0 1.0
C1D A:HEM1459 3.0 15.5 1.0
C1B A:HEM1459 3.0 16.6 1.0
C4D A:HEM1459 3.0 15.9 1.0
C4A A:HEM1459 3.1 16.2 1.0
C4B A:HEM1459 3.1 16.1 1.0
C4C A:HEM1459 3.1 17.3 1.0
C1A A:HEM1459 3.1 15.5 1.0
CB A:CYS400 3.4 13.7 1.0
CHC A:HEM1459 3.4 17.0 1.0
CHD A:HEM1459 3.4 17.9 1.0
CHB A:HEM1459 3.4 16.1 1.0
CHA A:HEM1459 3.4 16.9 1.0
CA A:CYS400 4.1 15.0 1.0
C3C A:HEM1459 4.3 17.7 1.0
C2A A:HEM1459 4.3 15.5 1.0
C2C A:HEM1459 4.4 16.0 1.0
C3A A:HEM1459 4.4 15.4 1.0
C3D A:HEM1459 4.4 14.2 1.0
C2B A:HEM1459 4.4 15.5 1.0
C2D A:HEM1459 4.4 17.4 1.0
C3B A:HEM1459 4.4 16.1 1.0
O A:ALA264 4.4 16.7 1.0
CE2 A:PHE87 4.6 16.1 1.0
C A:CYS400 5.0 17.8 1.0

Iron binding site 2 out of 6 in 2uwh

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Iron binding site 2 out of 6 in the Cytochrome P450 BM3 Mutant in Complex with Palmitic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome P450 BM3 Mutant in Complex with Palmitic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1459

b:17.2
occ:1.00
FE B:HEM1459 0.0 17.2 1.0
NC B:HEM1459 2.0 15.5 1.0
NB B:HEM1459 2.0 15.4 1.0
NA B:HEM1459 2.0 15.8 1.0
ND B:HEM1459 2.0 14.8 1.0
SG B:CYS400 2.5 17.1 1.0
C1C B:HEM1459 3.0 17.0 1.0
C1D B:HEM1459 3.0 15.5 1.0
C4D B:HEM1459 3.0 15.9 1.0
C4A B:HEM1459 3.0 16.2 1.0
C1B B:HEM1459 3.0 16.6 1.0
C4B B:HEM1459 3.1 16.1 1.0
C4C B:HEM1459 3.1 17.3 1.0
C1A B:HEM1459 3.1 15.5 1.0
CHC B:HEM1459 3.4 17.0 1.0
CHA B:HEM1459 3.4 16.9 1.0
CHD B:HEM1459 3.4 17.9 1.0
CHB B:HEM1459 3.4 16.1 1.0
CB B:CYS400 3.4 13.7 1.0
CA B:CYS400 4.1 15.0 1.0
C3C B:HEM1459 4.3 17.7 1.0
C2A B:HEM1459 4.3 15.5 1.0
C2C B:HEM1459 4.3 16.0 1.0
C3A B:HEM1459 4.4 15.4 1.0
C2D B:HEM1459 4.4 17.4 1.0
C3D B:HEM1459 4.4 14.2 1.0
C2B B:HEM1459 4.4 15.5 1.0
C3B B:HEM1459 4.4 16.1 1.0
CE2 B:PHE87 4.4 16.1 1.0
O B:ALA264 4.5 16.7 1.0
N B:ILE401 4.9 15.6 1.0
C B:CYS400 5.0 17.8 1.0

Iron binding site 3 out of 6 in 2uwh

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Iron binding site 3 out of 6 in the Cytochrome P450 BM3 Mutant in Complex with Palmitic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cytochrome P450 BM3 Mutant in Complex with Palmitic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe1459

b:17.2
occ:1.00
FE C:HEM1459 0.0 17.2 1.0
ND C:HEM1459 2.0 14.8 1.0
NC C:HEM1459 2.0 15.5 1.0
NA C:HEM1459 2.0 15.8 1.0
NB C:HEM1459 2.0 15.4 1.0
SG C:CYS400 2.4 17.1 1.0
C4D C:HEM1459 3.0 15.9 1.0
C1C C:HEM1459 3.0 17.0 1.0
C4A C:HEM1459 3.1 16.2 1.0
C1B C:HEM1459 3.1 16.6 1.0
C4B C:HEM1459 3.1 16.1 1.0
C1A C:HEM1459 3.1 15.5 1.0
C1D C:HEM1459 3.1 15.5 1.0
C4C C:HEM1459 3.1 17.3 1.0
CB C:CYS400 3.3 13.7 1.0
CHA C:HEM1459 3.4 16.9 1.0
CHC C:HEM1459 3.4 17.0 1.0
CHB C:HEM1459 3.4 16.1 1.0
CHD C:HEM1459 3.4 17.9 1.0
CA C:CYS400 4.0 15.0 1.0
C3C C:HEM1459 4.3 17.7 1.0
C2A C:HEM1459 4.3 15.5 1.0
C2C C:HEM1459 4.3 16.0 1.0
C3A C:HEM1459 4.4 15.4 1.0
C3D C:HEM1459 4.4 14.2 1.0
C2D C:HEM1459 4.4 17.4 1.0
C2B C:HEM1459 4.4 15.5 1.0
C3B C:HEM1459 4.4 16.1 1.0
CE2 C:PHE87 4.5 16.1 1.0
O C:ALA264 4.7 16.7 1.0
C C:CYS400 4.8 17.8 1.0
N C:GLY402 4.9 17.0 1.0
N C:ILE401 4.9 15.6 1.0

Iron binding site 4 out of 6 in 2uwh

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Iron binding site 4 out of 6 in the Cytochrome P450 BM3 Mutant in Complex with Palmitic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cytochrome P450 BM3 Mutant in Complex with Palmitic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe1459

b:17.2
occ:1.00
FE D:HEM1459 0.0 17.2 1.0
ND D:HEM1459 2.0 14.8 1.0
NB D:HEM1459 2.0 15.4 1.0
NA D:HEM1459 2.0 15.8 1.0
NC D:HEM1459 2.0 15.5 1.0
SG D:CYS400 2.5 17.1 1.0
C1C D:HEM1459 3.0 17.0 1.0
C4D D:HEM1459 3.0 15.9 1.0
C1B D:HEM1459 3.0 16.6 1.0
C1D D:HEM1459 3.1 15.5 1.0
C4A D:HEM1459 3.1 16.2 1.0
C4C D:HEM1459 3.1 17.3 1.0
C4B D:HEM1459 3.1 16.1 1.0
C1A D:HEM1459 3.1 15.5 1.0
O D:HOH2047 3.1 22.6 1.0
CB D:CYS400 3.4 13.7 1.0
CHC D:HEM1459 3.4 17.0 1.0
CHD D:HEM1459 3.4 17.9 1.0
CHA D:HEM1459 3.4 16.9 1.0
CHB D:HEM1459 3.4 16.1 1.0
CA D:CYS400 4.2 15.0 1.0
C3C D:HEM1459 4.3 17.7 1.0
C2A D:HEM1459 4.3 15.5 1.0
CE2 D:PHE87 4.3 16.1 1.0
C2C D:HEM1459 4.3 16.0 1.0
C3A D:HEM1459 4.4 15.4 1.0
C3D D:HEM1459 4.4 14.2 1.0
C2B D:HEM1459 4.4 15.5 1.0
C2D D:HEM1459 4.4 17.4 1.0
C3B D:HEM1459 4.4 16.1 1.0
O D:ALA264 4.6 16.7 1.0

Iron binding site 5 out of 6 in 2uwh

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Iron binding site 5 out of 6 in the Cytochrome P450 BM3 Mutant in Complex with Palmitic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Cytochrome P450 BM3 Mutant in Complex with Palmitic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe1459

b:17.2
occ:1.00
FE E:HEM1459 0.0 17.2 1.0
NA E:HEM1459 2.0 15.8 1.0
ND E:HEM1459 2.0 14.8 1.0
NB E:HEM1459 2.0 15.4 1.0
NC E:HEM1459 2.0 15.5 1.0
SG E:CYS400 2.4 17.1 1.0
C1D E:HEM1459 3.0 15.5 1.0
C4A E:HEM1459 3.0 16.2 1.0
C1C E:HEM1459 3.0 17.0 1.0
C4D E:HEM1459 3.0 15.9 1.0
C1B E:HEM1459 3.1 16.6 1.0
C4B E:HEM1459 3.1 16.1 1.0
C1A E:HEM1459 3.1 15.5 1.0
C4C E:HEM1459 3.1 17.3 1.0
CB E:CYS400 3.3 13.7 1.0
CHA E:HEM1459 3.4 16.9 1.0
CHD E:HEM1459 3.4 17.9 1.0
CHC E:HEM1459 3.4 17.0 1.0
CHB E:HEM1459 3.4 16.1 1.0
CA E:CYS400 4.1 15.0 1.0
C2A E:HEM1459 4.3 15.5 1.0
C3C E:HEM1459 4.3 17.7 1.0
C3A E:HEM1459 4.3 15.4 1.0
CE2 E:PHE87 4.4 16.1 1.0
C2C E:HEM1459 4.4 16.0 1.0
C3D E:HEM1459 4.4 14.2 1.0
C2B E:HEM1459 4.4 15.5 1.0
C2D E:HEM1459 4.4 17.4 1.0
C3B E:HEM1459 4.4 16.1 1.0
O E:ALA264 4.6 16.7 1.0
C E:CYS400 4.9 17.8 1.0

Iron binding site 6 out of 6 in 2uwh

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Iron binding site 6 out of 6 in the Cytochrome P450 BM3 Mutant in Complex with Palmitic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Cytochrome P450 BM3 Mutant in Complex with Palmitic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe1459

b:17.2
occ:1.00
FE F:HEM1459 0.0 17.2 1.0
ND F:HEM1459 2.0 14.8 1.0
NA F:HEM1459 2.0 15.8 1.0
NB F:HEM1459 2.0 15.4 1.0
NC F:HEM1459 2.0 15.5 1.0
SG F:CYS400 2.2 17.1 1.0
C4D F:HEM1459 3.0 15.9 1.0
C1B F:HEM1459 3.0 16.6 1.0
C4A F:HEM1459 3.0 16.2 1.0
C1C F:HEM1459 3.1 17.0 1.0
C1D F:HEM1459 3.1 15.5 1.0
C4B F:HEM1459 3.1 16.1 1.0
C4C F:HEM1459 3.1 17.3 1.0
C1A F:HEM1459 3.1 15.5 1.0
CB F:CYS400 3.3 13.7 1.0
CHB F:HEM1459 3.4 16.1 1.0
CHD F:HEM1459 3.4 17.9 1.0
CHA F:HEM1459 3.4 16.9 1.0
CHC F:HEM1459 3.4 17.0 1.0
CA F:CYS400 4.1 15.0 1.0
C3C F:HEM1459 4.3 17.7 1.0
C2A F:HEM1459 4.3 15.5 1.0
C3A F:HEM1459 4.4 15.4 1.0
C3D F:HEM1459 4.4 14.2 1.0
C2C F:HEM1459 4.4 16.0 1.0
C2B F:HEM1459 4.4 15.5 1.0
C2D F:HEM1459 4.4 17.4 1.0
C3B F:HEM1459 4.4 16.1 1.0
CE2 F:PHE87 4.5 16.1 1.0
O F:ALA264 4.5 16.7 1.0
C F:CYS400 4.9 17.8 1.0

Reference:

W.-C.Huang, A.C.G.Westlake, J.-D.Marechal, M.G.Joyce, P.C.E.Moody, G.C.K.Roberts. Filling A Hole in Cytochrome P450 BM3 Improves Substrate Binding and Catalytic Efficiency. J.Mol.Biol. V. 373 633 2007.
ISSN: ISSN 0022-2836
PubMed: 17868686
DOI: 10.1016/J.JMB.2007.08.015
Page generated: Sun Aug 4 02:20:19 2024

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