Chlorine in PDB 8oqc: Dirhodium Tetraacetate/Ribonuclease A Adduct in the P3221 Space Group (1 H Soaking)

All present enzymatic activity of Dirhodium Tetraacetate/Ribonuclease A Adduct in the P3221 Space Group (1 H Soaking):
4.6.1.18;

The structure of Dirhodium Tetraacetate/Ribonuclease A Adduct in the P3221 Space Group (1 H Soaking), PDB code: 8oqc 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)	21.97 / 1.50
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	67.129, 67.129, 64.979, 90, 90, 120
R / Rfree (%)	18 / 21.5

The structure of Dirhodium Tetraacetate/Ribonuclease A Adduct in the P3221 Space Group (1 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 (1 H Soaking) (pdb code 8oqc). 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 (1 H Soaking), PDB code: 8oqc:
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 (1 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 (1 H Soaking) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:20.5 occ:0.75 RH1 A:VVU205 2.6 16.1 0.8 O A:HOH302 2.8 19.1 0.5 O3 A:VVU205 3.3 17.9 0.8 O7 A:VVU205 3.3 15.9 0.8 O A:HOH332 3.3 42.0 1.0 O0 A:VVU205 3.4 16.4 0.8 O A:HOH331 3.4 47.7 1.0 O1 A:VVU205 3.4 17.4 0.8 O A:HOH366 3.7 47.5 1.0 O A:HOH302 3.7 24.1 0.5 C3 A:VVU205 4.5 15.0 0.8 C5 A:VVU205 4.5 17.6 0.8 C7 A:VVU205 4.5 17.1 0.8 C1 A:VVU205 4.6 17.5 0.8 RH2 A:VVU205 4.9 14.8 0.8

Chlorine binding site 2 out of 2 in the Dirhodium Tetraacetate/Ribonuclease A Adduct in the P3221 Space Group (1 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 (1 H Soaking) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:35.2 occ:0.50 NZ A:LYS7 2.4 46.9 1.0 RH2 A:D1O201 2.6 28.3 0.5 O A:HOH345 3.0 41.3 1.0 O2 A:D1O201 3.2 28.4 0.5 O8 A:D1O201 3.5 23.5 0.5 O9 A:D1O201 3.5 32.0 0.5 CE A:LYS7 3.7 35.9 1.0 O4 A:D1O201 3.8 27.2 0.5 CD A:LYS7 4.1 29.9 1.0 C1 A:D1O201 4.4 26.3 0.5 C5 A:D1O201 4.7 28.2 0.5 C3 A:D1O201 4.7 20.7 0.5 CE1 A:HIS119 4.8 35.9 0.5

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