Structure of PDB 6bv9 Chain A Binding Site BS01

Receptor Information

>6bv9 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
DAVIDGANMGLVNQRSFSFFQLNNTVQRCQQISPSKRLPLVILHKSRVNA
TYPKNRALLEKWKNAGALYATPPGSNDDWYWLYAAVSCKCLLVTNDEMRD
HLFQLLGNSFFPRWKEKHQVRISVTREDGLKLNMPPPYSIVIQESEDGTW
HVPMSVEDDLQTSRQWLCAKRS

Ligand information

Ligand ID

JUG

InChI

InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H

InChIKey

KQPYUDDGWXQXHS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	Oc1cccc2C(=O)C=CC(=O)c12
ACDLabs 10.04	O=C2c1c(c(O)ccc1)C(=O)C=C2
OpenEye OEToolkits 1.5.0	c1cc2c(c(c1)O)C(=O)C=CC2=O

Formula

C10 H6 O3

Name

5-hydroxynaphthalene-1,4-dione;
Juglone

PDB chain

6bv9 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6bv9 Inhibition of protein-only RNase P with Gambogic acid and Juglone
Resolution	2.1 Å
Binding residue (original residue number in PDB)	C222 R223 K254
Binding residue (residue number reindexed from 1)	C128 R129 K160
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.1.26.5: ribonuclease P.

External links

PDB	RCSB:6bv9, PDBe:6bv9, PDBj:6bv9
PDBsum	6bv9
PubMed
UniProt	Q66GI4\|PRRP1_ARATH Proteinaceous RNase P 1, chloroplastic/mitochondrial (Gene Name=PRORP1)

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