Structure of PDB 6bv8 Chain A Binding Site BS01

Receptor Information
>6bv8 Chain A (length=472) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPEALLKQKLDMCSKKGDVLEALRLYDEARRNGVQLSQYHYNVLLYVCSL
AEAATESSPNPGLSRGFDIFKQMIVDKVVPNEATFTNGARLAVAKDDPEM
AFDMVKQMKAFGIQPRLRSYGPALFGFCRKGDADKAYEVDAHMVESEVVP
EEPELAALLKVSMDTKNADKVYKTLQRLRDLVRQVSKSTFDMIEEWFKSE
VATKTGVKKWDVKKIRDAVVSGGGGWHGQGWLGTGKWNVKRTEMDENGVC
KCCKEKLVCIDINPVETETFAASLTRLACEREVKANFNQFQEWLERHGPF
DAVIDGANMGLVNQRSFSFFQLNNTVQRCQQISPSKRLPLVILHKSRVAT
YPKNRALLEKWKNAGALYATPPGSNDDWYWLYAAVSCKCLLVTNDEMRDH
LFQLLGNSFFPRWKEKHQVRISVTREDGLKLNMPPPYSIVIQESEDGTWH
VPMSVEDDLQTSRQWLCAKRSK
Ligand information
Ligand IDJUG
InChIInChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
InChIKeyKQPYUDDGWXQXHS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1cccc2C(=O)C=CC(=O)c12
ACDLabs 10.04O=C2c1c(c(O)ccc1)C(=O)C=C2
OpenEye OEToolkits 1.5.0c1cc2c(c(c1)O)C(=O)C=CC2=O
FormulaC10 H6 O3
Name5-hydroxynaphthalene-1,4-dione;
Juglone
ChEMBLCHEMBL43612
DrugBank
ZINCZINC000000526257
PDB chain6bv8 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6bv8 Inhibition of protein-only RNase P with Gambogic acid and Juglone
Resolution2.1 Å
Binding residue
(original residue number in PDB)		C353 P534
Binding residue
(residue number reindexed from 1)		C259 P436
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.26.5: ribonuclease P.
External links
PDB RCSB:6bv8, PDBe:6bv8, PDBj:6bv8
PDBsum6bv8
PubMed
UniProtQ66GI4|PRRP1_ARATH Proteinaceous RNase P 1, chloroplastic/mitochondrial (Gene Name=PRORP1)

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