Ruthenium in PDB 1qmq: Optical Detection of Cytochrome P450 By Sensitizer-Linked Substrates

All present enzymatic activity of Optical Detection of Cytochrome P450 By Sensitizer-Linked Substrates:
1.14.15.1;

The structure of Optical Detection of Cytochrome P450 By Sensitizer-Linked Substrates, PDB code: 1qmq was solved by B.R.Crane, I.J.Dmochowski, H.B.Gray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.390, 74.470, 91.730, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 22.6

The structure of Optical Detection of Cytochrome P450 By Sensitizer-Linked Substrates also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Ruthenium atom in the Optical Detection of Cytochrome P450 By Sensitizer-Linked Substrates (pdb code 1qmq). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total 2 binding sites of Ruthenium where determined in the Optical Detection of Cytochrome P450 By Sensitizer-Linked Substrates, PDB code: 1qmq:
Jump to Ruthenium binding site number: 1; 2;

Ruthenium binding site 1 out of 2 in the Optical Detection of Cytochrome P450 By Sensitizer-Linked Substrates


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of Optical Detection of Cytochrome P450 By Sensitizer-Linked Substrates within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru418 b:51.4 occ:0.24 RU A:DRB418 0.0 51.4 0.2 RU A:DRB419 0.5 51.1 0.4 N14 A:DRB419 1.6 50.6 0.4 N14 A:DRB418 2.0 50.6 0.2 N2 A:DRB418 2.0 50.8 0.2 N26 A:DRB418 2.0 50.7 0.2 N37 A:DRB418 2.0 50.7 0.2 N13 A:DRB418 2.0 50.7 0.2 N25 A:DRB418 2.1 50.6 0.2 N26 A:DRB419 2.1 50.7 0.4 N2 A:DRB419 2.1 50.7 0.4 N37 A:DRB419 2.1 50.7 0.4 N25 A:DRB419 2.1 50.5 0.4 N13 A:DRB419 2.5 50.6 0.4 C19 A:DRB419 2.5 50.5 0.4 C15 A:DRB419 2.6 50.5 0.4 C20 A:DRB419 2.7 50.4 0.4 C32 A:DRB418 2.9 50.7 0.2 C19 A:DRB418 2.9 50.5 0.2 C31 A:DRB418 2.9 50.6 0.2 C8 A:DRB418 2.9 50.7 0.2 C3 A:DRB419 2.9 50.7 0.4 C7 A:DRB418 2.9 50.8 0.2 C20 A:DRB418 2.9 50.4 0.2 C31 A:DRB419 2.9 50.8 0.4 C32 A:DRB419 2.9 50.8 0.4 C3 A:DRB418 3.0 50.8 0.2 C27 A:DRB419 3.0 50.7 0.4 C15 A:DRB418 3.0 50.6 0.2 C27 A:DRB418 3.0 50.6 0.2 C36 A:DRB418 3.0 50.7 0.2 C24 A:DRB418 3.1 50.4 0.2 C12 A:DRB418 3.1 50.7 0.2 C7 A:DRB419 3.1 50.7 0.4 C36 A:DRB419 3.1 50.8 0.4 C8 A:DRB419 3.2 50.6 0.4 C24 A:DRB419 3.3 50.4 0.4 C12 A:DRB419 3.5 50.6 0.4 C18 A:DRB419 3.8 50.5 0.4 C16 A:DRB419 3.9 50.5 0.4 C21 A:DRB419 4.1 50.1 0.4 C33 A:DRB418 4.2 50.6 0.2 C9 A:DRB418 4.2 50.6 0.2 C6 A:DRB418 4.2 50.7 0.2 C30 A:DRB418 4.2 50.5 0.2 C18 A:DRB418 4.2 50.5 0.2 C30 A:DRB419 4.2 50.8 0.4 C33 A:DRB419 4.2 50.8 0.4 C21 A:DRB418 4.2 50.1 0.2 C4 A:DRB419 4.3 50.7 0.4 C4 A:DRB418 4.3 50.8 0.2 C28 A:DRB419 4.3 50.7 0.4 C35 A:DRB418 4.3 50.6 0.2 C16 A:DRB418 4.3 50.5 0.2 C11 A:DRB418 4.3 50.6 0.2 C28 A:DRB418 4.3 50.5 0.2 C17 A:DRB419 4.3 50.5 0.4 C23 A:DRB418 4.4 50.0 0.2 C6 A:DRB419 4.4 50.7 0.4 C35 A:DRB419 4.4 50.7 0.4 C23 A:DRB419 4.5 50.0 0.4 C9 A:DRB419 4.6 50.6 0.4 C11 A:DRB419 4.8 50.6 0.4 C29 A:DRB419 4.8 50.8 0.4 C5 A:DRB418 4.8 50.8 0.2 C34 A:DRB418 4.8 50.6 0.2 C29 A:DRB418 4.8 50.4 0.2 C10 A:DRB418 4.8 50.6 0.2 C17 A:DRB418 4.8 50.4 0.2 C34 A:DRB419 4.8 50.8 0.4 C5 A:DRB419 4.8 50.7 0.4 C22 A:DRB419 4.8 49.8 0.4 C22 A:DRB418 4.9 49.7 0.2

Ruthenium binding site 2 out of 2 in the Optical Detection of Cytochrome P450 By Sensitizer-Linked Substrates


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 2 of Optical Detection of Cytochrome P450 By Sensitizer-Linked Substrates within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru419 b:51.1 occ:0.38 RU A:DRB419 0.0 51.1 0.4 RU A:DRB418 0.5 51.4 0.2 N26 A:DRB418 1.7 50.7 0.2 N2 A:DRB418 1.9 50.8 0.2 N13 A:DRB419 2.0 50.6 0.4 N37 A:DRB419 2.0 50.7 0.4 N14 A:DRB419 2.0 50.6 0.4 N2 A:DRB419 2.0 50.7 0.4 N26 A:DRB419 2.0 50.7 0.4 N25 A:DRB419 2.0 50.5 0.4 N25 A:DRB418 2.1 50.6 0.2 N13 A:DRB418 2.1 50.7 0.2 N37 A:DRB418 2.3 50.7 0.2 N14 A:DRB418 2.4 50.6 0.2 C27 A:DRB418 2.6 50.6 0.2 C31 A:DRB418 2.7 50.6 0.2 C7 A:DRB418 2.8 50.8 0.2 C3 A:DRB418 2.8 50.8 0.2 C8 A:DRB418 2.9 50.7 0.2 C8 A:DRB419 2.9 50.6 0.4 C32 A:DRB419 2.9 50.8 0.4 C19 A:DRB419 2.9 50.5 0.4 C7 A:DRB419 2.9 50.7 0.4 C20 A:DRB419 2.9 50.4 0.4 C31 A:DRB419 2.9 50.8 0.4 C32 A:DRB418 2.9 50.7 0.2 C24 A:DRB418 2.9 50.4 0.2 C27 A:DRB419 3.0 50.7 0.4 C3 A:DRB419 3.0 50.7 0.4 C12 A:DRB419 3.0 50.6 0.4 C24 A:DRB419 3.0 50.4 0.4 C36 A:DRB419 3.0 50.8 0.4 C15 A:DRB419 3.1 50.5 0.4 C20 A:DRB418 3.1 50.4 0.2 C19 A:DRB418 3.2 50.5 0.2 C12 A:DRB418 3.2 50.7 0.2 C15 A:DRB418 3.4 50.6 0.2 C36 A:DRB418 3.4 50.7 0.2 C28 A:DRB418 3.9 50.5 0.2 C30 A:DRB418 4.0 50.5 0.2 C6 A:DRB418 4.1 50.7 0.2 C4 A:DRB418 4.1 50.8 0.2 C9 A:DRB419 4.2 50.6 0.4 C9 A:DRB418 4.2 50.6 0.2 C33 A:DRB419 4.2 50.8 0.4 C18 A:DRB419 4.2 50.5 0.4 C30 A:DRB419 4.2 50.8 0.4 C6 A:DRB419 4.2 50.7 0.4 C21 A:DRB419 4.2 50.1 0.4 C33 A:DRB418 4.3 50.6 0.2 C23 A:DRB418 4.3 50.0 0.2 C11 A:DRB419 4.3 50.6 0.4 C28 A:DRB419 4.3 50.7 0.4 C35 A:DRB419 4.3 50.7 0.4 C4 A:DRB419 4.3 50.7 0.4 C16 A:DRB419 4.3 50.5 0.4 C23 A:DRB419 4.3 50.0 0.4 C21 A:DRB418 4.4 50.1 0.2 C11 A:DRB418 4.4 50.6 0.2 C29 A:DRB418 4.5 50.4 0.2 C18 A:DRB418 4.5 50.5 0.2 C5 A:DRB418 4.6 50.8 0.2 C35 A:DRB418 4.6 50.6 0.2 C16 A:DRB418 4.7 50.5 0.2 C10 A:DRB419 4.8 50.6 0.4 C29 A:DRB419 4.8 50.8 0.4 C34 A:DRB419 4.8 50.8 0.4 C5 A:DRB419 4.8 50.7 0.4 C17 A:DRB419 4.8 50.5 0.4 C10 A:DRB418 4.8 50.6 0.2 C22 A:DRB419 4.8 49.8 0.4 C22 A:DRB418 4.9 49.7 0.2 C34 A:DRB418 5.0 50.6 0.2

I.J.Dmochowski, B.R.Crane, J.J.Wilker, J.R.Winkler, H.B.Gray. Optical Detection of Cytochrome P450 By Sensitizer-Linked Substrates Proc.Natl.Acad.Sci.Usa V. 96 12987 1999.
ISSN: ISSN 0027-8424
PubMed: 10557259
DOI: 10.1073/PNAS.96.23.12987