Atomistry » Ruthenium » PDB 5iu5-6bo1 » 5obc
Atomistry »
  Ruthenium »
    PDB 5iu5-6bo1 »
      5obc »

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

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

All present enzymatic activity of X-Ray Structure of the Adduct Formed Upon Reaction of Ribonuclease A with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole:
3.1.27.5;

Protein crystallography data

The structure of X-Ray Structure of the Adduct Formed Upon Reaction of Ribonuclease A with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole, PDB code: 5obc 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) 74.68 / 2.07
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 100.552, 32.698, 74.688, 90.00, 90.64, 90.00
R / Rfree (%) 18.1 / 27.2

Ruthenium Binding Sites:

The binding sites of Ruthenium atom in the X-Ray Structure of the Adduct Formed Upon Reaction of Ribonuclease A with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole (pdb code 5obc). 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 Ribonuclease A with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole, PDB code: 5obc:
Jump to Ruthenium binding site number: 1; 2; 3;

Ruthenium binding site 1 out of 3 in 5obc

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


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 Ribonuclease A with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ru201

b:54.4
occ:0.60
RU A:RU2201 0.0 54.4 0.6
NE2 A:HIS105 2.2 41.5 1.0
O4 A:RU2201 2.3 50.8 0.6
O3 A:RU2201 2.3 47.1 0.6
O1 A:RU2201 2.3 54.5 0.6
O5 A:RU2201 2.3 51.8 0.6
CE1 A:HIS105 3.0 43.4 1.0
CD2 A:HIS105 3.2 40.7 1.0
O A:HOH328 3.9 63.7 1.0
ND1 A:HIS105 4.2 43.1 1.0
CG A:HIS105 4.3 40.0 1.0
O A:HOH330 4.6 58.2 1.0
O A:HOH354 4.6 57.8 1.0
CG2 A:THR78 4.8 46.1 1.0

Ruthenium binding site 2 out of 3 in 5obc

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


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 Ribonuclease A with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ru201

b:52.7
occ:0.40
RU B:9Q8201 0.0 52.7 0.4
NE2 B:HIS105 2.2 32.3 1.0
O5 B:9Q8201 2.3 45.4 0.4
O4 B:9Q8201 2.3 49.6 0.4
O6 B:9Q8201 2.3 46.9 0.4
CE1 B:HIS105 3.1 32.2 1.0
CD2 B:HIS105 3.1 31.6 1.0
O B:HOH393 3.2 39.1 0.6
ND1 B:HIS105 4.2 31.1 1.0
O B:HOH353 4.2 42.1 1.0
CG B:HIS105 4.2 28.4 1.0
CG2 B:THR78 4.6 27.9 1.0

Ruthenium binding site 3 out of 3 in 5obc

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


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 Ribonuclease A with the Compound Fac-[Ruii(Co)3CL2(N3-Im), Im=Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ru202

b:52.8
occ:0.60
RU B:RU2202 0.0 52.8 0.6
C2 B:RU2202 2.1 48.2 1.0
O1 B:RU2202 2.3 37.8 0.6
O3 B:RU2202 2.3 40.6 0.6
O5 B:RU2202 2.4 48.2 0.6
ND1 B:HIS119 2.5 43.7 1.0
O B:HOH367 2.8 13.3 0.4
O2 B:RU2202 3.3 38.8 0.6
CG B:HIS119 3.3 41.3 1.0
CB B:HIS119 3.5 33.2 1.0
CE1 B:HIS119 3.5 43.1 1.0
CA B:HIS119 3.9 27.9 1.0
O B:HOH406 3.9 33.7 0.4
O B:HOH347 4.1 30.9 1.0
O B:VAL118 4.3 25.2 1.0
N B:PHE120 4.5 24.2 1.0
CD2 B:HIS119 4.5 41.3 1.0
NE2 B:HIS119 4.6 41.1 1.0
O B:HOH335 4.7 27.9 1.0
C B:HIS119 4.7 25.2 1.0
N B:HIS119 5.0 25.6 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 13:01:39 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy