PDB Entry (6bv9)
PDB ID: 6bv9 Resolution: 2.1 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: -
Protein
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
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 222 A 28.41 11.87 Vinyl Carbonyl
Binding Affinity
-