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Ruthenium in PDB 5ob7: X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole (Crystal 2)

Enzymatic activity of X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole (Crystal 2)

All present enzymatic activity of X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole (Crystal 2):
3.2.1.17;

Protein crystallography data

The structure of X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole (Crystal 2), PDB code: 5ob7 was solved by N.Pontillo, G.Ferraro, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.84 / 2.10
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.968, 78.968, 36.604, 90.00, 90.00, 90.00
R / Rfree (%) 15.3 / 23.4

Other elements in 5ob7:

The structure of X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole (Crystal 2) also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms
Sodium (Na) 1 atom

Ruthenium Binding Sites:

The binding sites of Ruthenium atom in the X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole (Crystal 2) (pdb code 5ob7). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total 3 binding sites of Ruthenium where determined in the X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole (Crystal 2), PDB code: 5ob7:
Jump to Ruthenium binding site number: 1; 2; 3;

Ruthenium binding site 1 out of 3 in 5ob7

Go back to Ruthenium Binding Sites List in 5ob7
Ruthenium binding site 1 out of 3 in the X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole (Crystal 2)


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole (Crystal 2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ru204

b:44.2
occ:0.80
RU1 A:9QB204 0.0 44.2 0.8
C1 A:9QB204 1.8 39.9 0.8
C2 A:9QB204 1.9 47.3 0.8
C3 A:9QB204 1.9 45.6 0.8
CL1 A:9QB204 2.0 41.4 0.8
NE2 A:HIS15 2.2 44.2 1.0
O4 A:9QB204 2.3 40.4 0.8
O1 A:9QB204 2.9 41.9 0.8
O2 A:9QB204 2.9 44.8 0.8
O3 A:9QB204 3.0 42.5 0.8
CE1 A:HIS15 3.2 49.1 1.0
CD2 A:HIS15 3.2 45.6 1.0
OD1 A:ASP87 4.0 46.0 1.0
ND1 A:HIS15 4.3 43.4 1.0
CG A:HIS15 4.3 43.4 1.0
OG1 A:THR89 5.0 35.5 1.0

Ruthenium binding site 2 out of 3 in 5ob7

Go back to Ruthenium Binding Sites List in 5ob7
Ruthenium binding site 2 out of 3 in the X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole (Crystal 2)


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 2 of X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole (Crystal 2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ru205

b:51.0
occ:0.50
RU A:9Q8205 0.0 51.0 0.5
C1 A:9Q8205 1.9 46.3 0.5
C2 A:9Q8205 2.0 43.3 0.5
OD2 A:ASP18 2.2 46.5 1.0
O6 A:9Q8205 2.4 43.1 0.5
O4 A:9Q8205 2.4 43.7 0.5
O5 A:9Q8205 2.4 44.5 0.5
O1 A:9Q8205 2.9 52.4 0.5
CG A:ASP18 3.0 44.7 1.0
OD1 A:ASP18 3.0 45.5 1.0
O2 A:9Q8205 3.0 37.3 0.5
NZ A:LYS13 3.9 40.2 0.5
NZ A:LYS13 4.0 39.3 0.5
CB A:ASP18 4.4 39.5 1.0
CE A:LYS13 4.9 41.2 0.5

Ruthenium binding site 3 out of 3 in 5ob7

Go back to Ruthenium Binding Sites List in 5ob7
Ruthenium binding site 3 out of 3 in the X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole (Crystal 2)


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 3 of X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole (Crystal 2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ru206

b:46.4
occ:0.30
O A:HOH384 2.6 58.3 1.0
NH2 A:ARG125 2.7 61.3 1.0
OD2 A:ASP119 2.7 62.2 1.0
OD1 A:ASP119 2.8 48.6 1.0
CG A:ASP119 3.0 50.3 1.0
OE1 A:GLN121 3.6 58.1 1.0
CZ A:ARG125 3.9 64.2 1.0
CB A:ASP119 4.5 44.6 1.0
NH1 A:ARG125 4.6 67.3 1.0
NE A:ARG125 4.7 56.5 1.0
CD A:GLN121 4.7 56.2 1.0
CB A:GLN121 4.8 43.1 1.0

Reference:

N.Pontillo, G.Ferraro, L.Messori, G.Tamasi, A.Merlino. Ru-Based Co Releasing Molecules with Azole Ligands: Interaction with Proteins and the Co Release Mechanism Disclosed By X-Ray Crystallography. Dalton Trans V. 46 9621 2017.
ISSN: ESSN 1477-9234
PubMed: 28702564
DOI: 10.1039/C7DT01991B
Page generated: Thu Oct 10 13:01:29 2024

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