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Iron in PDB 1k2o: Cytochrome P450CAM with Bound Bis(2,2'-Bipyridine)-(5-Methyl-2-2'- Bipyridine)-C2-Adamantane Ruthenium (II)

Enzymatic activity of Cytochrome P450CAM with Bound Bis(2,2'-Bipyridine)-(5-Methyl-2-2'- Bipyridine)-C2-Adamantane Ruthenium (II)

All present enzymatic activity of Cytochrome P450CAM with Bound Bis(2,2'-Bipyridine)-(5-Methyl-2-2'- Bipyridine)-C2-Adamantane Ruthenium (II):
1.14.15.1;

Protein crystallography data

The structure of Cytochrome P450CAM with Bound Bis(2,2'-Bipyridine)-(5-Methyl-2-2'- Bipyridine)-C2-Adamantane Ruthenium (II), PDB code: 1k2o was solved by A.R.Dunn, I.J.Dmochowski, A.M.Bilwes, H.B.Gray, B.R.Crane, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.81 / 1.65
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 63.870, 67.050, 72.520, 71.16, 65.20, 62.31
R / Rfree (%) 21 / 22.6

Other elements in 1k2o:

The structure of Cytochrome P450CAM with Bound Bis(2,2'-Bipyridine)-(5-Methyl-2-2'- Bipyridine)-C2-Adamantane Ruthenium (II) also contains other interesting chemical elements:

Fluorine (F) 32 atoms
Ruthenium (Ru) 4 atoms
Arsenic (As) 5 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Cytochrome P450CAM with Bound Bis(2,2'-Bipyridine)-(5-Methyl-2-2'- Bipyridine)-C2-Adamantane Ruthenium (II) (pdb code 1k2o). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Cytochrome P450CAM with Bound Bis(2,2'-Bipyridine)-(5-Methyl-2-2'- Bipyridine)-C2-Adamantane Ruthenium (II), PDB code: 1k2o:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1k2o

Go back to Iron Binding Sites List in 1k2o
Iron binding site 1 out of 2 in the Cytochrome P450CAM with Bound Bis(2,2'-Bipyridine)-(5-Methyl-2-2'- Bipyridine)-C2-Adamantane Ruthenium (II)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome P450CAM with Bound Bis(2,2'-Bipyridine)-(5-Methyl-2-2'- Bipyridine)-C2-Adamantane Ruthenium (II) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe417

b:13.0
occ:1.00
 FE A:HEM417 0.0 13.0 1.0
NB A:HEM417 2.0 12.9 1.0
NC A:HEM417 2.0 12.8 1.0
ND A:HEM417 2.0 13.6 1.0
NA A:HEM417 2.1 12.9 1.0
SG A:CYS357 2.2 11.9 1.0
O A:HOH1366 2.4 14.9 1.0
C1C A:HEM417 3.0 12.7 1.0
C4A A:HEM417 3.0 13.0 1.0
C4C A:HEM417 3.0 13.1 1.0
C4B A:HEM417 3.0 12.8 1.0
C1B A:HEM417 3.1 13.1 1.0
C1D A:HEM417 3.1 13.4 1.0
C4D A:HEM417 3.1 13.4 1.0
C1A A:HEM417 3.1 13.1 1.0
CB A:CYS357 3.3 14.3 1.0
CHC A:HEM417 3.4 12.6 1.0
CHB A:HEM417 3.4 12.5 1.0
CHD A:HEM417 3.4 13.3 1.0
CHA A:HEM417 3.4 12.9 1.0
CA A:CYS357 4.0 14.7 1.0
O A:GLY248 4.2 14.3 1.0
C2C A:HEM417 4.3 12.6 1.0
C2B A:HEM417 4.3 12.6 1.0
C3A A:HEM417 4.3 12.5 1.0
C3C A:HEM417 4.3 13.0 1.0
C3B A:HEM417 4.3 12.8 1.0
C2D A:HEM417 4.3 13.7 1.0
C2A A:HEM417 4.3 12.5 1.0
C3D A:HEM417 4.3 13.7 1.0
N A:GLY359 4.7 15.5 1.0
C A:CYS357 4.7 15.0 1.0
N A:LEU358 4.8 15.4 1.0
C A:GLY248 4.9 14.6 1.0

Iron binding site 2 out of 2 in 1k2o

Go back to Iron Binding Sites List in 1k2o
Iron binding site 2 out of 2 in the Cytochrome P450CAM with Bound Bis(2,2'-Bipyridine)-(5-Methyl-2-2'- Bipyridine)-C2-Adamantane Ruthenium (II)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome P450CAM with Bound Bis(2,2'-Bipyridine)-(5-Methyl-2-2'- Bipyridine)-C2-Adamantane Ruthenium (II) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe417

b:17.1
occ:1.00
 FE B:HEM417 0.0 17.1 1.0
NB B:HEM417 2.0 16.5 1.0
NC B:HEM417 2.0 16.5 1.0
ND B:HEM417 2.0 17.1 1.0
NA B:HEM417 2.1 17.0 1.0
SG B:CYS357 2.2 15.8 1.0
O B:HOH1689 2.4 17.4 1.0
C4A B:HEM417 3.1 17.1 1.0
C1C B:HEM417 3.1 16.8 1.0
C1D B:HEM417 3.1 17.3 1.0
C4B B:HEM417 3.1 16.8 1.0
C1B B:HEM417 3.1 17.0 1.0
C4D B:HEM417 3.1 17.2 1.0
C1A B:HEM417 3.1 17.0 1.0
C4C B:HEM417 3.1 17.1 1.0
CB B:CYS357 3.3 17.0 1.0
CHB B:HEM417 3.4 17.1 1.0
CHC B:HEM417 3.4 16.5 1.0
CHA B:HEM417 3.4 17.2 1.0
CHD B:HEM417 3.4 17.1 1.0
CA B:CYS357 4.0 17.2 1.0
O B:GLY248 4.2 15.7 1.0
C3A B:HEM417 4.3 17.5 1.0
C2C B:HEM417 4.3 17.0 1.0
C2D B:HEM417 4.3 17.3 1.0
C2B B:HEM417 4.3 16.8 1.0
C3D B:HEM417 4.3 17.3 1.0
C3B B:HEM417 4.3 16.8 1.0
C3C B:HEM417 4.3 17.4 1.0
C2A B:HEM417 4.3 17.3 1.0
N B:GLY359 4.6 16.9 1.0
C B:CYS357 4.7 17.0 1.0
N B:LEU358 4.8 17.1 1.0
C B:GLY248 4.9 15.9 1.0

Reference:

A.R.Dunn, I.J.Dmochowski, A.M.Bilwes, H.B.Gray, B.R.Crane. Probing the Open State of Cytochrome P450CAM with Ruthenium-Linker Substrates. Proc.Natl.Acad.Sci.Usa V. 98 12420 2001.
ISSN: ISSN 0027-8424
PubMed: 11606730
DOI: 10.1073/PNAS.221297998
Page generated: Sun Dec 13 14:20:34 2020

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