PDB Entry (6bv6) |
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PDB ID: 6bv6 | Resolution: 2.2 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: - | |
Protein |
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Protein Name: Proteinaceous RNase P 1, chloroplastic/mitochondrial | |
Uniprot ID/ACC: Q66GI4 (PRRP1_ARATH) | Organism: Arabidopsis thaliana (Mouse-ear cress) |
Gene Symbol: PRORP1 | Gene ID: 817782 |
Protein Class: HYDROLASE |
Ligand |
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Ligand Name: juglone | ||
Canonical SMILES: Oc1cccc(c12)C(=O)C=CC2=O | ||
Standard InChI: InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H | ||
HET Code: JUG | PubChem: 3806 | |
DrugBank: - | ChEMBL: CHEMBL43612 | |
Molecular Formula: C10H6O3 | Mol. Weight: 174.0317 | logP: 1.3274 |
HBD: 1 | HBA: 3 | |
#Rotatable Bonds: 0 | TPSA: 54.37 |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
Michael Addition | CYS 346 | A | 53.34 | 10.02 | Vinyl Carbonyl |
Binding Affinity |
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