Ruthenium in PDB 1qmq: Optical Detection of Cytochrome P450 By Sensitizer-Linked Substrates
Enzymatic activity of 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;
Protein crystallography data
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
|
Other elements in 1qmq:
The structure of Optical Detection of Cytochrome P450 By Sensitizer-Linked Substrates also contains other interesting chemical elements:
Ruthenium Binding Sites:
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 1qmq
Go back to
Ruthenium Binding Sites List in 1qmq
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 1qmq
Go back to
Ruthenium Binding Sites List in 1qmq
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
|
|
Reference:
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
Page generated: Thu Oct 10 12:43:03 2024
|