Chlorine in PDB 8oqd: 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: 8oqd 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)	21.64 / 1.54
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	67.142, 67.142, 64.791, 90, 90, 120
R / Rfree (%)	19.5 / 22.2

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 8oqd). 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: 8oqd:
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:21.6 occ:0.70 RH2 A:VVU205 2.6 18.5 0.7 O A:HOH303 2.8 37.5 1.0 O4 A:VVU205 3.3 16.3 0.7 O8 A:VVU205 3.3 17.1 0.7 O9 A:VVU205 3.4 20.0 0.7 O2 A:VVU205 3.5 17.5 0.7 O A:HOH360 3.6 48.7 1.0 C3 A:VVU205 4.5 18.8 0.7 C7 A:VVU205 4.5 16.3 0.7 O A:HOH422 4.6 50.8 1.0 C5 A:VVU205 4.6 22.5 0.7 C1 A:VVU205 4.7 19.7 0.7 RH1 A:VVU205 5.0 16.9 0.7

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:41.2 occ:0.50 RH2 A:D1O201 2.6 36.9 0.5 O A:HOH354 2.7 45.1 1.0 NZ A:LYS7 2.8 44.7 1.0 O2 A:D1O201 3.2 34.0 0.5 O8 A:D1O201 3.4 31.8 0.5 O9 A:D1O201 3.5 36.4 0.5 O4 A:D1O201 3.7 34.0 0.5 CE A:LYS7 3.7 36.1 1.0 CD A:LYS7 4.1 33.2 1.0 C1 A:D1O201 4.4 26.7 0.5 C5 A:D1O201 4.6 32.5 0.5 C3 A:D1O201 4.7 29.4 0.5 C6 A:D1O201 4.9 28.5 0.5 RH1 A:D1O201 4.9 31.8 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