Fluorine in PDB 1k2o: 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;

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

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:

Ruthenium	(Ru)	4 atoms
Arsenic	(As)	5 atoms
Iron	(Fe)	2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 32;

Binding sites:

The binding sites of Fluorine 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 Fluorine atom.
In total 32 binding sites of Fluorine 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 Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 32 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 Fluorine with other atoms in the F 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:F900 b:23.4 occ:0.41 F46 A:RFA900 0.0 23.4 0.4 F46 A:RFB901 0.2 23.0 0.5 C41 A:RFB901 1.2 23.2 0.5 C41 A:RFA900 1.4 23.6 0.4 C40 A:RFB901 2.2 23.8 0.5 C42 A:RFB901 2.3 22.6 0.5 C40 A:RFA900 2.4 24.1 0.4 C42 A:RFA900 2.4 23.0 0.4 C39 A:RFB901 2.6 25.2 0.5 F47 A:RFB901 2.7 22.4 0.5 F47 A:RFA900 2.7 22.8 0.4 C39 A:RFA900 2.8 25.7 0.4 C A:GLY93 3.0 26.4 1.0 O A:GLY93 3.1 26.4 1.0 CA A:GLY93 3.4 26.7 1.0 N A:GLU94 3.5 26.0 1.0 C45 A:RFB901 3.5 23.5 0.5 CB A:GLU94 3.6 26.3 1.0 C43 A:RFB901 3.6 22.4 0.5 CD1 A:PHE193 3.6 21.8 1.0 O A:ALA92 3.6 27.7 1.0 CG A:PHE193 3.6 21.8 1.0 C45 A:RFA900 3.7 23.7 0.4 C22 A:RFB901 3.7 26.5 0.5 C43 A:RFA900 3.7 22.7 0.4 C23 A:RFB901 3.8 27.0 0.5 CE1 A:PHE193 3.8 21.4 1.0 C22 A:RFA900 3.8 27.2 0.4 CD2 A:PHE193 3.9 21.9 1.0 C23 A:RFA900 3.9 27.8 0.4 CG A:GLU94 3.9 27.2 1.0 C44 A:RFB901 4.0 22.9 0.5 CA A:GLU94 4.0 25.6 1.0 CZ A:PHE193 4.0 21.7 1.0 CE2 A:PHE193 4.1 21.9 1.0 C44 A:RFA900 4.2 23.1 0.4 N A:GLY93 4.2 27.1 1.0 CB A:PHE193 4.2 22.1 1.0 CD A:GLU94 4.2 27.9 1.0 C A:ALA92 4.2 27.6 1.0 OE1 A:GLU94 4.3 28.3 1.0 F49 A:RFB901 4.6 23.7 0.5 C50 A:RFB901 4.7 21.3 0.5 N A:ALA95 4.8 24.4 1.0 C A:GLU94 4.8 25.1 1.0 F49 A:RFA900 4.8 23.6 0.4 C50 A:RFA900 4.9 21.8 0.4 OE2 A:GLU94 4.9 28.1 1.0 F56 A:RFA900 4.9 21.3 0.4 F56 A:RFB901 4.9 20.7 0.5 C21 A:RFB901 5.0 27.2 0.5

Fluorine binding site 2 out of 32 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 Fluorine with other atoms in the F 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:F900 b:22.8 occ:0.41 F47 A:RFA900 0.0 22.8 0.4 F47 A:RFB901 0.1 22.4 0.5 C42 A:RFB901 1.3 22.6 0.5 C42 A:RFA900 1.4 23.0 0.4 C43 A:RFB901 2.3 22.4 0.5 C41 A:RFB901 2.4 23.2 0.5 C41 A:RFA900 2.4 23.6 0.4 C43 A:RFA900 2.4 22.7 0.4 F46 A:RFA900 2.7 23.4 0.4 C50 A:RFB901 2.8 21.3 0.5 F46 A:RFB901 2.8 23.0 0.5 F56 A:RFA900 2.8 21.3 0.4 C50 A:RFA900 2.9 21.8 0.4 F56 A:RFB901 2.9 20.7 0.5 C51 A:RFB901 3.0 20.8 0.5 C51 A:RFA900 3.0 21.4 0.4 CA A:GLY93 3.4 26.7 1.0 CE1 A:PHE87 3.4 23.7 1.0 O A:GLY93 3.5 26.4 1.0 C40 A:RFB901 3.6 23.8 0.5 C44 A:RFB901 3.6 22.9 0.5 C40 A:RFA900 3.7 24.1 0.4 C44 A:RFA900 3.7 23.1 0.4 CD2 A:TYR96 3.7 18.5 1.0 C A:GLY93 3.8 26.4 1.0 CE1 A:PHE193 3.8 21.4 1.0 CZ A:PHE193 3.8 21.7 1.0 C55 A:RFB901 3.8 20.9 0.5 CZ A:PHE87 3.9 23.7 1.0 C55 A:RFA900 4.0 21.4 0.4 O A:ALA92 4.1 27.7 1.0 CB A:TYR96 4.1 19.9 1.0 C45 A:RFB901 4.1 23.5 0.5 C52 A:RFB901 4.1 20.4 0.5 C52 A:RFA900 4.2 21.1 0.4 C45 A:RFA900 4.2 23.7 0.4 CD1 A:PHE87 4.2 23.5 1.0 CG A:TYR96 4.4 19.0 1.0 F59 A:RFB901 4.4 20.7 0.5 CD1 A:PHE193 4.5 21.8 1.0 CE2 A:PHE193 4.5 21.9 1.0 N A:GLY93 4.6 27.1 1.0 F59 A:RFA900 4.6 21.2 0.4 CE2 A:TYR96 4.7 18.2 1.0 C54 A:RFB901 4.7 20.5 0.5 F48 A:RFB901 4.8 23.3 0.5 C A:ALA92 4.8 27.6 1.0 C39 A:RFB901 4.8 25.2 0.5 F48 A:RFA900 4.9 23.3 0.4 CE2 A:PHE87 4.9 23.6 1.0 F57 A:RFA900 4.9 21.0 0.4 C39 A:RFA900 4.9 25.7 0.4 N A:GLU94 4.9 26.0 1.0 C53 A:RFB901 4.9 20.2 0.5 C54 A:RFA900 4.9 21.1 0.4 F57 A:RFB901 4.9 20.3 0.5 C53 A:RFA900 5.0 20.9 0.4

Fluorine binding site 3 out of 32 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 Fluorine with other atoms in the F 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 A:F900 b:23.3 occ:0.41 F48 A:RFA900 0.0 23.3 0.4 F48 A:RFB901 0.2 23.3 0.5 C44 A:RFA900 1.4 23.1 0.4 C44 A:RFB901 1.5 22.9 0.5 C45 A:RFA900 2.4 23.7 0.4 C43 A:RFA900 2.4 22.7 0.4 C43 A:RFB901 2.5 22.4 0.5 C45 A:RFB901 2.6 23.5 0.5 F49 A:RFA900 2.7 23.6 0.4 F59 A:RFB901 2.8 20.7 0.5 F59 A:RFA900 2.8 21.2 0.4 C50 A:RFA900 2.8 21.8 0.4 C50 A:RFB901 2.8 21.3 0.5 F49 A:RFB901 2.9 23.7 0.5 C55 A:RFB901 3.0 20.9 0.5 C55 A:RFA900 3.0 21.4 0.4 CA A:THR185 3.2 23.6 1.0 O A:THR185 3.4 24.0 1.0 CB A:THR185 3.5 23.2 1.0 C40 A:RFA900 3.7 24.1 0.4 C A:THR185 3.7 24.1 1.0 C42 A:RFA900 3.7 23.0 0.4 CG2 A:THR185 3.8 23.2 1.0 O A:MET184 3.8 23.4 1.0 C42 A:RFB901 3.8 22.6 0.5 C40 A:RFB901 3.9 23.8 0.5 C51 A:RFB901 3.9 20.8 0.5 C51 A:RFA900 3.9 21.4 0.4 C54 A:RFB901 4.1 20.5 0.5 O A:HOH1066 4.1 26.7 1.0 C54 A:RFA900 4.2 21.1 0.4 C41 A:RFA900 4.2 23.6 0.4 N A:THR185 4.3 23.4 1.0 C41 A:RFB901 4.3 23.2 0.5 C A:MET184 4.4 23.6 1.0 O A:HOH1439 4.5 50.5 1.0 F56 A:RFA900 4.6 21.3 0.4 F56 A:RFB901 4.6 20.7 0.5 O A:HOH1234 4.7 30.2 1.0 F58 A:RFB901 4.8 20.2 0.5 C52 A:RFB901 4.8 20.4 0.5 F47 A:RFA900 4.9 22.8 0.4 C52 A:RFA900 4.9 21.1 0.4 C39 A:RFA900 4.9 25.7 0.4 F58 A:RFA900 4.9 20.8 0.4 C53 A:RFB901 4.9 20.2 0.5 OG1 A:THR185 4.9 22.9 1.0 N A:ARG186 4.9 24.5 1.0 F47 A:RFB901 4.9 22.4 0.5 C53 A:RFA900 5.0 20.9 0.4

Fluorine binding site 4 out of 32 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 Fluorine with other atoms in the F 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 A:F900 b:23.6 occ:0.41 F49 A:RFA900 0.0 23.6 0.4 F49 A:RFB901 0.3 23.7 0.5 C45 A:RFA900 1.4 23.7 0.4 C45 A:RFB901 1.5 23.5 0.5 C44 A:RFB901 2.3 22.9 0.5 C44 A:RFA900 2.4 23.1 0.4 C40 A:RFA900 2.4 24.1 0.4 F48 A:RFB901 2.6 23.3 0.5 C40 A:RFB901 2.6 23.8 0.5 F48 A:RFA900 2.7 23.3 0.4 C39 A:RFA900 2.8 25.7 0.4 C39 A:RFB901 3.1 25.2 0.5 C22 A:RFA900 3.1 27.2 0.4 O A:MET184 3.2 23.4 1.0 C22 A:RFB901 3.3 26.5 0.5 C21 A:RFA900 3.3 28.1 0.4 C21 A:RFB901 3.4 27.2 0.5 C41 A:RFA900 3.7 23.6 0.4 C43 A:RFB901 3.7 22.4 0.5 C43 A:RFA900 3.7 22.7 0.4 CD A:PRO187 3.7 25.5 1.0 C41 A:RFB901 3.8 23.2 0.5 C23 A:RFA900 4.0 27.8 0.4 O A:THR185 4.1 24.0 1.0 CA A:THR185 4.1 23.6 1.0 C23 A:RFB901 4.1 27.0 0.5 CG A:PRO187 4.1 25.5 1.0 C A:THR185 4.1 24.1 1.0 C42 A:RFA900 4.2 23.0 0.4 O A:HOH1391 4.2 23.9 1.0 C42 A:RFB901 4.2 22.6 0.5 C A:MET184 4.3 23.6 1.0 C20 A:RFB901 4.3 27.9 0.5 C20 A:RFA900 4.3 28.9 0.4 N A:THR185 4.6 23.4 1.0 F46 A:RFA900 4.8 23.4 0.4 C50 A:RFB901 4.8 21.3 0.5 F59 A:RFB901 4.8 20.7 0.5 C24 A:RFB901 4.8 27.7 0.5 C24 A:RFA900 4.8 28.6 0.4 C50 A:RFA900 4.8 21.8 0.4 N A:ARG186 4.9 24.5 1.0 F59 A:RFA900 4.9 21.2 0.4 N25 A:RFB901 4.9 28.2 0.5 F46 A:RFB901 5.0 23.0 0.5 N25 A:RFA900 5.0 29.3 0.4 O A:HOH1122 5.0 21.8 1.0

Fluorine binding site 5 out of 32 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 Fluorine with other atoms in the F 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 A:F900 b:21.3 occ:0.41 F56 A:RFA900 0.0 21.3 0.4 F56 A:RFB901 0.2 20.7 0.5 C51 A:RFB901 1.2 20.8 0.5 C51 A:RFA900 1.4 21.4 0.4 C52 A:RFB901 2.2 20.4 0.5 C50 A:RFB901 2.3 21.3 0.5 C52 A:RFA900 2.4 21.1 0.4 C50 A:RFA900 2.4 21.8 0.4 F57 A:RFB901 2.6 20.3 0.5 F57 A:RFA900 2.7 21.0 0.4 C43 A:RFB901 2.8 22.4 0.5 F47 A:RFB901 2.8 22.4 0.5 F47 A:RFA900 2.8 22.8 0.4 C43 A:RFA900 2.9 22.7 0.4 C42 A:RFB901 3.0 22.6 0.5 C42 A:RFA900 3.0 23.0 0.4 CE1 A:PHE193 3.3 21.4 1.0 C53 A:RFB901 3.5 20.2 0.5 C55 A:RFB901 3.6 20.9 0.5 CZ A:PHE193 3.6 21.7 1.0 CD2 A:TYR96 3.6 18.5 1.0 C53 A:RFA900 3.7 20.9 0.4 C55 A:RFA900 3.7 21.4 0.4 C44 A:RFB901 3.9 22.9 0.5 CE2 A:TYR96 3.9 18.2 1.0 C44 A:RFA900 3.9 23.1 0.4 C54 A:RFB901 4.0 20.5 0.5 C41 A:RFA900 4.2 23.6 0.4 C54 A:RFA900 4.2 21.1 0.4 C41 A:RFB901 4.2 23.2 0.5 CG2 A:THR185 4.2 23.2 1.0 F48 A:RFB901 4.5 23.3 0.5 CD1 A:PHE193 4.5 21.8 1.0 F48 A:RFA900 4.6 23.3 0.4 N60 A:RFB901 4.6 19.6 0.5 F59 A:RFB901 4.7 20.7 0.5 N60 A:RFA900 4.7 20.5 0.4 CG1 A:VAL247 4.8 15.9 1.0 CE2 A:PHE98 4.8 18.6 1.0 C45 A:RFB901 4.9 23.5 0.5 CG A:TYR96 4.9 19.0 1.0 C45 A:RFA900 4.9 23.7 0.4 F59 A:RFA900 4.9 21.2 0.4 F46 A:RFA900 4.9 23.4 0.4 CE2 A:PHE193 4.9 21.9 1.0 F46 A:RFB901 4.9 23.0 0.5 CE1 A:PHE87 4.9 23.7 1.0 CZ A:PHE87 4.9 23.7 1.0 C40 A:RFA900 5.0 24.1 0.4 C40 A:RFB901 5.0 23.8 0.5

Fluorine binding site 6 out of 32 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 Fluorine with other atoms in the F binding site number 6 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:F900 b:21.0 occ:0.41 F57 A:RFA900 0.0 21.0 0.4 F57 A:RFB901 0.2 20.3 0.5 C52 A:RFB901 1.3 20.4 0.5 C52 A:RFA900 1.4 21.1 0.4 C53 A:RFB901 2.3 20.2 0.5 C51 A:RFA900 2.4 21.4 0.4 C51 A:RFB901 2.4 20.8 0.5 C53 A:RFA900 2.4 20.9 0.4 N60 A:RFB901 2.6 19.6 0.5 F56 A:RFA900 2.7 21.3 0.4 N60 A:RFA900 2.8 20.5 0.4 F56 A:RFB901 2.8 20.7 0.5 CE2 A:TYR96 3.2 18.2 1.0 C54 A:RFB901 3.6 20.5 0.5 CG1 A:VAL247 3.6 15.9 1.0 C50 A:RFB901 3.7 21.3 0.5 C54 A:RFA900 3.7 21.1 0.4 C50 A:RFA900 3.7 21.8 0.4 CD2 A:TYR96 3.9 18.5 1.0 C61 A:RFB901 3.9 19.0 0.5 C61 A:RFA900 4.1 20.1 0.4 C55 A:RFB901 4.1 20.9 0.5 CE2 A:PHE98 4.1 18.6 1.0 C55 A:RFA900 4.2 21.4 0.4 C62 A:RFB901 4.2 18.8 0.5 CZ A:TYR96 4.2 18.1 1.0 C62 A:RFA900 4.2 20.0 0.4 CD2 A:PHE98 4.3 18.3 1.0 OH A:TYR96 4.3 17.7 1.0 C68 A:RFB901 4.4 18.8 0.5 C68 A:RFA900 4.4 19.9 0.4 C63 A:RFB901 4.5 18.9 0.5 O A:HOH1050 4.5 27.3 1.0 CB A:VAL247 4.5 15.7 1.0 C63 A:RFA900 4.6 20.0 0.4 C66 A:RFB901 4.6 18.8 0.5 F58 A:RFB901 4.7 20.2 0.5 C66 A:RFA900 4.8 20.0 0.4 CG2 A:THR185 4.8 23.2 1.0 F58 A:RFA900 4.8 20.8 0.4 C43 A:RFA900 4.8 22.7 0.4 C43 A:RFB901 4.8 22.4 0.5 C69 A:RFB901 4.9 18.8 0.5 F47 A:RFA900 4.9 22.8 0.4 F47 A:RFB901 4.9 22.4 0.5 C69 A:RFA900 4.9 19.9 0.4 CZ A:PHE87 4.9 23.7 1.0 CD1 A:LEU244 5.0 17.2 1.0

Fluorine binding site 7 out of 32 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 Fluorine with other atoms in the F binding site number 7 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:F900 b:20.8 occ:0.41 F58 A:RFA900 0.0 20.8 0.4 F58 A:RFB901 0.2 20.2 0.5 C54 A:RFA900 1.4 21.1 0.4 C54 A:RFB901 1.5 20.5 0.5 C55 A:RFA900 2.4 21.4 0.4 C53 A:RFA900 2.4 20.9 0.4 C53 A:RFB901 2.5 20.2 0.5 C55 A:RFB901 2.6 20.9 0.5 F59 A:RFA900 2.7 21.2 0.4 N60 A:RFA900 2.8 20.5 0.4 F59 A:RFB901 2.8 20.7 0.5 C61 A:RFB901 2.9 19.0 0.5 C61 A:RFA900 2.9 20.1 0.4 N60 A:RFB901 2.9 19.6 0.5 C63 A:RFB901 3.2 18.9 0.5 C63 A:RFA900 3.4 20.0 0.4 CG2 A:VAL396 3.4 14.0 1.0 CG2 A:ILE395 3.5 15.1 1.0 O A:HOH1066 3.7 26.7 1.0 C52 A:RFA900 3.7 21.1 0.4 C50 A:RFA900 3.7 21.8 0.4 CB A:ILE395 3.7 15.2 1.0 O A:HOH1234 3.8 30.2 1.0 C52 A:RFB901 3.8 20.4 0.5 O A:HOH1050 3.8 27.3 1.0 C50 A:RFB901 3.9 21.3 0.5 C64 A:RFB901 4.1 18.7 0.5 C51 A:RFA900 4.2 21.4 0.4 C64 A:RFA900 4.3 19.8 0.4 CB A:VAL396 4.3 14.0 1.0 C51 A:RFB901 4.3 20.8 0.5 N A:VAL396 4.4 13.8 1.0 C66 A:RFA900 4.4 20.0 0.4 C66 A:RFB901 4.4 18.8 0.5 C62 A:RFB901 4.6 18.8 0.5 C A:ILE395 4.6 14.4 1.0 CD1 A:ILE395 4.6 16.7 1.0 C62 A:RFA900 4.7 20.0 0.4 CA A:ILE395 4.8 14.5 1.0 CG1 A:ILE395 4.8 15.4 1.0 F57 A:RFA900 4.8 21.0 0.4 CE1 A:PHE87 4.8 23.7 1.0 C43 A:RFA900 4.9 22.7 0.4 F48 A:RFA900 4.9 23.3 0.4 F57 A:RFB901 4.9 20.3 0.5 CA A:VAL396 4.9 14.0 1.0

Fluorine binding site 8 out of 32 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 Fluorine with other atoms in the F binding site number 8 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:F900 b:21.2 occ:0.41 F59 A:RFA900 0.0 21.2 0.4 F59 A:RFB901 0.2 20.7 0.5 C55 A:RFA900 1.4 21.4 0.4 C55 A:RFB901 1.4 20.9 0.5 C54 A:RFB901 2.4 20.5 0.5 C54 A:RFA900 2.4 21.1 0.4 C50 A:RFA900 2.4 21.8 0.4 C50 A:RFB901 2.6 21.3 0.5 F58 A:RFB901 2.6 20.2 0.5 F58 A:RFA900 2.7 20.8 0.4 F48 A:RFA900 2.8 23.3 0.4 C43 A:RFA900 2.9 22.7 0.4 F48 A:RFB901 3.0 23.3 0.5 C44 A:RFA900 3.0 23.1 0.4 C43 A:RFB901 3.1 22.4 0.5 C44 A:RFB901 3.2 22.9 0.5 O A:HOH1234 3.5 30.2 1.0 C53 A:RFA900 3.7 20.9 0.4 C53 A:RFB901 3.7 20.2 0.5 C51 A:RFA900 3.7 21.4 0.4 C51 A:RFB901 3.8 20.8 0.5 O A:HOH1021 3.9 22.9 1.0 C42 A:RFA900 4.0 23.0 0.4 O A:HOH1066 4.1 26.7 1.0 CD1 A:ILE395 4.1 16.7 1.0 C42 A:RFB901 4.1 22.6 0.5 C52 A:RFA900 4.2 21.1 0.4 C45 A:RFA900 4.2 23.7 0.4 C52 A:RFB901 4.2 20.4 0.5 CB A:ILE395 4.3 15.2 1.0 C45 A:RFB901 4.4 23.5 0.5 CE1 A:PHE87 4.4 23.7 1.0 F47 A:RFA900 4.6 22.8 0.4 CG1 A:ILE395 4.7 15.4 1.0 F47 A:RFB901 4.7 22.4 0.5 N60 A:RFA900 4.8 20.5 0.4 N60 A:RFB901 4.8 19.6 0.5 CG2 A:ILE395 4.8 15.1 1.0 F56 A:RFA900 4.9 21.3 0.4 F49 A:RFA900 4.9 23.6 0.4 C41 A:RFA900 4.9 23.6 0.4 CD1 A:PHE87 5.0 23.5 1.0 C40 A:RFA900 5.0 24.1 0.4

Fluorine binding site 9 out of 32 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 Fluorine with other atoms in the F binding site number 9 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:F901 b:23.0 occ:0.53 F46 A:RFB901 0.0 23.0 0.5 F46 A:RFA900 0.2 23.4 0.4 C41 A:RFB901 1.4 23.2 0.5 C41 A:RFA900 1.5 23.6 0.4 C40 A:RFB901 2.4 23.8 0.5 C42 A:RFB901 2.4 22.6 0.5 C42 A:RFA900 2.5 23.0 0.4 C40 A:RFA900 2.6 24.1 0.4 F47 A:RFB901 2.7 22.4 0.5 F47 A:RFA900 2.8 22.8 0.4 C39 A:RFB901 2.8 25.2 0.5 C A:GLY93 2.9 26.4 1.0 C39 A:RFA900 3.0 25.7 0.4 O A:GLY93 3.0 26.4 1.0 N A:GLU94 3.4 26.0 1.0 CA A:GLY93 3.4 26.7 1.0 CB A:GLU94 3.4 26.3 1.0 CG A:PHE193 3.5 21.8 1.0 CD1 A:PHE193 3.6 21.8 1.0 C45 A:RFB901 3.7 23.5 0.5 C43 A:RFB901 3.7 22.4 0.5 O A:ALA92 3.7 27.7 1.0 CD2 A:PHE193 3.7 21.9 1.0 CE1 A:PHE193 3.8 21.4 1.0 C22 A:RFB901 3.8 26.5 0.5 C43 A:RFA900 3.8 22.7 0.4 C45 A:RFA900 3.8 23.7 0.4 CG A:GLU94 3.9 27.2 1.0 CA A:GLU94 3.9 25.6 1.0 C23 A:RFB901 3.9 27.0 0.5 CE2 A:PHE193 3.9 21.9 1.0 C22 A:RFA900 4.0 27.2 0.4 CZ A:PHE193 4.0 21.7 1.0 C23 A:RFA900 4.0 27.8 0.4 C44 A:RFB901 4.2 22.9 0.5 CB A:PHE193 4.2 22.1 1.0 CD A:GLU94 4.2 27.9 1.0 N A:GLY93 4.2 27.1 1.0 OE1 A:GLU94 4.3 28.3 1.0 C A:ALA92 4.3 27.6 1.0 C44 A:RFA900 4.3 23.1 0.4 N A:ALA95 4.6 24.4 1.0 C A:GLU94 4.6 25.1 1.0 F49 A:RFB901 4.8 23.7 0.5 C50 A:RFB901 4.8 21.3 0.5 OE2 A:GLU94 4.9 28.1 1.0 F56 A:RFA900 4.9 21.3 0.4 F56 A:RFB901 4.9 20.7 0.5 F49 A:RFA900 5.0 23.6 0.4 C50 A:RFA900 5.0 21.8 0.4

Fluorine binding site 10 out of 32 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 Fluorine with other atoms in the F binding site number 10 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:F901 b:22.4 occ:0.53 F47 A:RFB901 0.0 22.4 0.5 F47 A:RFA900 0.1 22.8 0.4 C42 A:RFB901 1.4 22.6 0.5 C42 A:RFA900 1.4 23.0 0.4 C41 A:RFB901 2.4 23.2 0.5 C41 A:RFA900 2.4 23.6 0.4 C43 A:RFB901 2.4 22.4 0.5 C43 A:RFA900 2.5 22.7 0.4 F46 A:RFA900 2.7 23.4 0.4 F46 A:RFB901 2.7 23.0 0.5 F56 A:RFA900 2.8 21.3 0.4 C50 A:RFB901 2.8 21.3 0.5 F56 A:RFB901 2.9 20.7 0.5 C50 A:RFA900 3.0 21.8 0.4 C51 A:RFB901 3.1 20.8 0.5 C51 A:RFA900 3.1 21.4 0.4 O A:GLY93 3.4 26.4 1.0 CA A:GLY93 3.4 26.7 1.0 CE1 A:PHE87 3.5 23.7 1.0 C40 A:RFB901 3.6 23.8 0.5 CZ A:PHE193 3.7 21.7 1.0 CD2 A:TYR96 3.7 18.5 1.0 C40 A:RFA900 3.7 24.1 0.4 CE1 A:PHE193 3.7 21.4 1.0 C44 A:RFB901 3.7 22.9 0.5 C A:GLY93 3.7 26.4 1.0 C44 A:RFA900 3.8 23.1 0.4 CZ A:PHE87 3.9 23.7 1.0 C55 A:RFB901 3.9 20.9 0.5 CB A:TYR96 4.0 19.9 1.0 C55 A:RFA900 4.1 21.4 0.4 C45 A:RFB901 4.2 23.5 0.5 C52 A:RFB901 4.2 20.4 0.5 O A:ALA92 4.2 27.7 1.0 C52 A:RFA900 4.2 21.1 0.4 C45 A:RFA900 4.2 23.7 0.4 CG A:TYR96 4.3 19.0 1.0 CD1 A:PHE87 4.3 23.5 1.0 CE2 A:PHE193 4.3 21.9 1.0 CD1 A:PHE193 4.4 21.8 1.0 F59 A:RFB901 4.5 20.7 0.5 N A:GLY93 4.6 27.1 1.0 CE2 A:TYR96 4.6 18.2 1.0 F59 A:RFA900 4.7 21.2 0.4 C39 A:RFB901 4.8 25.2 0.5 F48 A:RFB901 4.8 23.3 0.5 N A:GLU94 4.9 26.0 1.0 C A:ALA92 4.9 27.6 1.0 C54 A:RFB901 4.9 20.5 0.5 F57 A:RFA900 4.9 21.0 0.4 CE2 A:PHE87 4.9 23.6 1.0 C39 A:RFA900 4.9 25.7 0.4 CA A:TYR96 4.9 20.6 1.0 F57 A:RFB901 4.9 20.3 0.5 F48 A:RFA900 4.9 23.3 0.4 CD2 A:PHE193 5.0 21.9 1.0 C53 A:RFB901 5.0 20.2 0.5 CG A:PHE193 5.0 21.8 1.0 C54 A:RFA900 5.0 21.1 0.4

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