› 7qhr

X-ray diffraction
1.4Å resolution

Unexpected imidazole coordination to dirhodium tetraacetate complex in a protein environment: insights from X-ray crystallography and quantum chemistry

Released:
DOI: 10.2210/pdb7qhr/pdb
PDB entry 7qhr coloured by chain, front view.
PDB entry 7qhr coloured by chain, side view.
PDB entry 7qhr coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Unexpected Imidazole Coordination to the Dirhodium Center in a Protein Environment: Insights from X-ray Crystallography and Quantum Chemistry.
Loreto D, Fasulo F, Muñoz-García AB, Pavone M, Merlino A
OpenAccess logo Inorg Chem 61 8402-8405 (2022)
PMID: 35609175

Function and Biology Details

Reaction catalysed: 
(1a) an (RNA) containing cytidine = an (RNA)-3'-cytidine-2',3'-cyclophosphate + a 5'-hydroxy-ribonucleotide-3'-(RNA)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158390 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ribonuclease pancreatic Chains: A, B
Molecule details ›
Chains: A, B
Length: 124 amino acids
Theoretical weight: 13.71 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P61823 (Residues: 27-150; Coverage: 100%)
Gene names: RNASE1, RNS1
Sequence domains: Pancreatic ribonuclease

Ligands and Environments

4 bound ligands:
Ligand D1O 2 x D1O
Ligand D3I 1 x D3I
Ligand CJI 1 x CJI
Ligand D5A 1 x D5A
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 11.2C
Spacegroup: C2
Unit cell:
a: 100.5Å b: 32.53Å c: 72.2Å
α: 90° β: 90.295° γ: 90°
R-values:
R R work R free
0.192 0.19 0.231

Quick links

Citations

2 citation in other articles

Effect of Equatorial Ligand Substitution on the Reactivity with Proteins of Paddlewheel Diruthenium Complexes: Structural Studies.
Terán et al. (2023)
1 more

1 mention without citation

Unexpected Imidazole Coordination to the Dirhodium Center in a Protein Environment: Insights from X-ray Crystallography and Quantum Chemistry.
Loreto et al. (2022)