Chlorine in PDB 8oqe: Dirhodium Tetraacetate/Ribonuclease A Adduct in the P3221 Space Group (6 H Soaking)

All present enzymatic activity of Dirhodium Tetraacetate/Ribonuclease A Adduct in the P3221 Space Group (6 H Soaking):
4.6.1.18;

The structure of Dirhodium Tetraacetate/Ribonuclease A Adduct in the P3221 Space Group (6 H Soaking), PDB code: 8oqe was solved by D.Loreto, A.Merlino, B.Maity, T.Ueno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.60 / 1.50
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	66.795, 66.795, 64.904, 90, 90, 120
R / Rfree (%)	17.9 / 21.6

The structure of Dirhodium Tetraacetate/Ribonuclease A Adduct in the P3221 Space Group (6 H Soaking) also contains other interesting chemical elements:

Rhodium

(Rh)

4 atoms

The binding sites of Chlorine atom in the Dirhodium Tetraacetate/Ribonuclease A Adduct in the P3221 Space Group (6 H Soaking) (pdb code 8oqe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Dirhodium Tetraacetate/Ribonuclease A Adduct in the P3221 Space Group (6 H Soaking), PDB code: 8oqe:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Dirhodium Tetraacetate/Ribonuclease A Adduct in the P3221 Space Group (6 H Soaking)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dirhodium Tetraacetate/Ribonuclease A Adduct in the P3221 Space Group (6 H Soaking) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:20.2 occ:0.78 RH2 A:VVU201 2.6 14.1 0.8 O8 A:VVU201 3.3 13.3 0.8 O2 A:VVU201 3.3 14.3 0.8 O A:HOH321 3.4 45.4 1.0 O4 A:VVU201 3.4 15.7 0.8 O9 A:VVU201 3.4 15.1 0.8 O A:HOH373 3.9 47.0 1.0 C3 A:VVU201 4.5 12.9 0.8 C1 A:VVU201 4.6 14.8 0.8 C5 A:VVU201 4.6 14.4 0.8 C7 A:VVU201 4.6 15.7 0.8 O A:HOH448 4.8 42.2 1.0 RH1 A:VVU201 5.0 12.7 0.8

Chlorine binding site 2 out of 2 in the Dirhodium Tetraacetate/Ribonuclease A Adduct in the P3221 Space Group (6 H Soaking)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dirhodium Tetraacetate/Ribonuclease A Adduct in the P3221 Space Group (6 H Soaking) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:40.2 occ:0.55 NZ A:LYS7 2.2 21.9 0.2 RH2 A:D1O202 2.6 29.6 0.6 O2 A:D1O202 3.3 26.0 0.6 O8 A:D1O202 3.3 24.4 0.6 CE A:LYS7 3.4 21.5 0.6 O4 A:D1O202 3.6 26.7 0.6 O9 A:D1O202 3.7 28.9 0.6 CD A:LYS7 3.8 21.3 1.0 C1 A:D1O202 4.5 22.2 0.6 C3 A:D1O202 4.6 22.6 0.6 C5 A:D1O202 4.9 26.1 0.6 RH1 A:D1O202 5.0 23.9 0.6

D.Loreto, B.Maity, T.Morita, H.Nakamura, A.Merlino, T.Ueno. Cross-Linked Crystals of Dirhodium Tetraacetate/Rnase A Adduct Can Be Used As Heterogeneous Catalysts. Inorg.Chem. V. 62 7515 2023.
ISSN: ISSN 0020-1669
PubMed: 37144589
DOI: 10.1021/ACS.INORGCHEM.3C00852