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Arsenic 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
Iron (Fe) 2 atoms

Arsenic Binding Sites:

The binding sites of Arsenic 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 Arsenic atom.
In total 5 binding sites of Arsenic 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 Arsenic binding site number: 1; 2; 3; 4; 5;

Arsenic binding site 1 out of 5 in 1k2o

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Arsenic binding site 1 out of 5 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 Arsenic with other atoms in the As 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:As501

b:25.4
occ:0.84
 AS A:CAC501 0.0 25.4 0.8
C1 A:CAC501 1.8 27.0 0.8
C2 A:CAC501 1.8 27.4 0.8
O1 A:CAC501 1.9 26.9 0.8
SG A:CYS85 2.3 23.9 1.0
CB A:CYS85 3.1 23.2 1.0
O A:HOH1272 3.6 31.6 1.0
CA A:CYS85 4.0 22.4 1.0
CD2 A:PHE87 4.3 23.3 1.0
O A:HOH1235 4.5 34.1 1.0
O A:TYR96 4.6 20.0 1.0
O A:ARG90 4.6 28.3 1.0
CG A:ARG90 4.7 30.1 1.0
O A:GLU84 4.7 21.7 1.0
O A:GLU94 4.8 25.0 1.0
CB A:TYR96 4.8 19.9 1.0
NE A:ARG90 4.9 31.8 1.0
C A:CYS85 4.9 22.4 1.0
NH1 A:ARG90 4.9 32.6 1.0
CE2 A:PHE87 4.9 23.6 1.0
CZ A:ARG90 4.9 32.0 1.0

Arsenic binding site 2 out of 5 in 1k2o

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Arsenic binding site 2 out of 5 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 Arsenic with other atoms in the As 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
A:As503

b:26.2
occ:0.72
 AS A:CAC503 0.0 26.2 0.7
C1 A:CAC503 1.7 28.2 0.7
O1 A:CAC503 1.8 28.6 0.7
C2 A:CAC503 1.8 28.1 0.7
SG A:CYS58 2.2 21.8 1.0
CB A:CYS58 3.0 21.7 1.0
CA A:CYS58 3.7 20.2 1.0
O A:HOH1420 4.1 36.4 1.0
O A:HOH1519 4.2 36.0 1.0
O A:ASN10 4.3 38.7 1.0
CB A:ASP27 4.4 17.3 1.0
CD2 A:LEU11 4.4 37.7 1.0
N A:CYS58 4.5 19.7 1.0
CB A:ASN10 4.5 40.1 1.0
OD2 A:ASP27 4.6 18.2 1.0
CG A:ASP27 4.7 17.7 1.0
C A:ASN10 4.9 38.9 1.0
C A:CYS58 5.0 19.9 1.0

Arsenic binding site 3 out of 5 in 1k2o

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Arsenic binding site 3 out of 5 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 Arsenic with other atoms in the As binding site number 3 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:As500

b:29.9
occ:0.70
 AS B:CAC500 0.0 29.9 0.7
C1 B:CAC500 1.8 30.9 0.7
C2 B:CAC500 1.8 31.0 0.7
O1 B:CAC500 1.8 31.0 0.7
SG B:CYS85 2.2 28.1 1.0
CB B:CYS85 3.1 28.3 1.0
CA B:CYS85 4.0 27.9 1.0
NH2 B:ARG90 4.3 36.5 1.0
CD1 B:PHE87 4.5 29.0 1.0
CZ B:ARG90 4.5 36.0 1.0
O B:ARG90 4.6 33.5 1.0
O B:GLU94 4.6 30.1 1.0
CG B:ARG90 4.6 34.9 1.0
O B:GLU84 4.7 27.0 1.0
O B:TYR96 4.7 24.1 1.0
CA B:GLY93 4.8 31.5 1.0
NE B:ARG90 4.8 35.9 1.0
C B:CYS85 4.9 27.9 1.0
C B:GLY93 4.9 31.3 1.0
NH1 B:ARG90 4.9 36.3 1.0
CB B:PHE87 4.9 28.8 1.0
CB B:TYR96 5.0 24.3 1.0

Arsenic binding site 4 out of 5 in 1k2o

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Arsenic binding site 4 out of 5 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 Arsenic with other atoms in the As binding site number 4 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:As502

b:35.5
occ:0.75
 AS B:CAC502 0.0 35.5 0.8
C2 B:CAC502 1.8 36.3 0.8
C1 B:CAC502 1.8 36.3 0.8
O1 B:CAC502 1.8 36.4 0.8
SG B:CYS58 2.2 34.0 1.0
CB B:CYS58 3.0 33.4 1.0
CA B:CYS58 3.6 32.8 1.0
O B:HOH1479 4.1 40.2 1.0
CB B:ALA9 4.2 49.1 1.0
CD2 B:LEU11 4.2 47.9 1.0
N B:CYS58 4.2 32.7 1.0
O B:ALA9 4.3 49.2 1.0
O B:ASN10 4.6 48.5 1.0
C B:ALA9 4.6 49.1 1.0
CB B:ASP27 4.6 29.5 1.0
CA B:ALA9 4.8 49.1 1.0
OD2 B:ASP27 4.9 29.4 1.0
C B:CYS58 4.9 32.5 1.0
C B:ARG57 5.0 32.8 1.0
CG B:ASP27 5.0 29.7 1.0

Arsenic binding site 5 out of 5 in 1k2o

Go back to Arsenic Binding Sites List in 1k2o
Arsenic binding site 5 out of 5 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 Arsenic with other atoms in the As binding site number 5 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:As504

b:55.5
occ:0.67
 AS B:CAC504 0.0 55.5 0.7
O1 B:CAC504 1.8 56.0 0.7
C1 B:CAC504 1.8 56.0 0.7
C2 B:CAC504 1.8 56.0 0.7
SG B:CYS136 2.3 29.0 0.5
CB B:CYS136 3.0 28.0 0.5
CB B:CYS136 3.0 28.0 0.5
C B:CYS136 3.7 27.6 0.5
C B:CYS136 3.7 27.6 0.5
O B:CYS136 3.8 27.7 0.5
O B:CYS136 3.9 27.6 0.5
CA B:CYS136 3.9 27.8 0.5
CA B:CYS136 3.9 27.8 0.5
N B:SER137 4.0 27.4 1.0
SG B:CYS136 4.3 29.0 0.5
O B:HOH1421 4.3 47.4 1.0
CA B:SER137 4.5 27.3 1.0
O B:GLU133 4.7 29.0 1.0
NH2 B:ARG377 4.7 29.5 1.0
CB B:GLU140 4.9 28.1 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: Wed Jul 10 11:06:57 2024

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