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Ruthenium in PDB 5f2b: Expanding Nature'S Catalytic Repertoire -Directed Evolution of An Artificial Metalloenzyme For in Vivo Metathesis

Protein crystallography data

The structure of Expanding Nature'S Catalytic Repertoire -Directed Evolution of An Artificial Metalloenzyme For in Vivo Metathesis, PDB code: 5f2b was solved by T.Heinisch, M.Jeschek, R.Reuter, C.Trindler, S.Panke, T.R.Ward, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.55 / 1.70
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 57.465, 57.465, 173.564, 90.00, 90.00, 90.00
R / Rfree (%) 14.4 / 20.6

Other elements in 5f2b:

The structure of Expanding Nature'S Catalytic Repertoire -Directed Evolution of An Artificial Metalloenzyme For in Vivo Metathesis also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Ruthenium Binding Sites:

The binding sites of Ruthenium atom in the Expanding Nature'S Catalytic Repertoire -Directed Evolution of An Artificial Metalloenzyme For in Vivo Metathesis (pdb code 5f2b). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total 2 binding sites of Ruthenium where determined in the Expanding Nature'S Catalytic Repertoire -Directed Evolution of An Artificial Metalloenzyme For in Vivo Metathesis, PDB code: 5f2b:
Jump to Ruthenium binding site number: 1; 2;

Ruthenium binding site 1 out of 2 in 5f2b

Go back to Ruthenium Binding Sites List in 5f2b
Ruthenium binding site 1 out of 2 in the Expanding Nature'S Catalytic Repertoire -Directed Evolution of An Artificial Metalloenzyme For in Vivo Metathesis


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of Expanding Nature'S Catalytic Repertoire -Directed Evolution of An Artificial Metalloenzyme For in Vivo Metathesis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ru201

b:62.5
occ:0.56
RU1 A:9RU201 0.0 62.5 0.6
C20 A:9RU201 1.8 60.4 0.6
CL1 A:9RU201 2.2 99.3 0.6
CL2 A:9RU201 2.3 89.0 0.6
N4 A:9RU201 2.8 48.5 0.6
N5 A:9RU201 2.9 51.1 0.6
C16 A:9RU201 3.4 50.9 0.6
C23 A:9RU201 3.5 20.0 0.0
C25 A:9RU201 3.8 20.0 0.0
C24 A:9RU201 3.9 20.0 0.0
C17 A:9RU201 3.9 47.1 0.6
C18 A:9RU201 4.1 48.9 0.6
C22 A:9RU201 4.1 47.0 0.6
C14 A:9RU201 4.1 42.1 0.6
C21 A:9RU201 4.1 38.7 0.6
C18 A:9RU201 4.2 53.1 0.4
C15 A:9RU201 4.4 43.8 0.6
C30 A:9RU201 4.4 20.0 0.0
C17 A:9RU201 4.8 40.1 0.4
C31 A:9RU201 4.8 20.0 0.0
C19 A:9RU201 4.8 27.6 0.4
C26 A:9RU201 4.9 20.0 0.0

Ruthenium binding site 2 out of 2 in 5f2b

Go back to Ruthenium Binding Sites List in 5f2b
Ruthenium binding site 2 out of 2 in the Expanding Nature'S Catalytic Repertoire -Directed Evolution of An Artificial Metalloenzyme For in Vivo Metathesis


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 2 of Expanding Nature'S Catalytic Repertoire -Directed Evolution of An Artificial Metalloenzyme For in Vivo Metathesis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ru201

b:56.3
occ:0.44
RU1 A:9RU201 0.0 56.3 0.4
C20 A:9RU201 1.8 43.7 0.4
NZ A:LYS49 2.7 0.9 1.0
N4 A:9RU201 2.8 51.6 0.4
N5 A:9RU201 2.9 53.8 0.4
C23 A:9RU201 3.2 20.0 0.0
C16 A:9RU201 3.3 46.6 0.4
C25 A:9RU201 3.3 20.0 0.0
C24 A:9RU201 3.5 20.0 0.0
CE A:LYS49 3.7 0.2 1.0
C17 A:9RU201 3.9 40.1 0.4
C14 A:9RU201 4.0 28.5 0.4
C18 A:9RU201 4.0 53.1 0.4
C22 A:9RU201 4.1 57.8 0.4
C21 A:9RU201 4.1 50.2 0.4
C30 A:9RU201 4.1 20.0 0.0
C15 A:9RU201 4.2 35.7 0.4
CL1 A:9RU201 4.3 99.3 0.6
C26 A:9RU201 4.5 20.0 0.0
C31 A:9RU201 4.7 20.0 0.0
C15 A:9RU201 4.8 43.8 0.6
C19 A:9RU201 4.9 27.6 0.4
C13 A:9RU201 5.0 48.9 0.6
C14 A:9RU201 5.0 42.1 0.6
CD A:LYS49 5.0 93.2 1.0

Reference:

M.Jeschek, R.Reuter, T.Heinisch, C.Trindler, J.Klehr, S.Panke, T.R.Ward. Directed Evolution of Artificial Metalloenzymes For in Vivo Metathesis. Nature V. 537 661 2016.
ISSN: ESSN 1476-4687
PubMed: 27571282
DOI: 10.1038/NATURE19114
Page generated: Thu Oct 10 12:58:30 2024

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