Structure of PDB 6max Chain A Binding Site BS01

Receptor Information
>6max Chain A (length=111) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AHHHERLRLRRDFLLIFKEGKSLQNEYFVVLFRKNGLDYSRLGIVVKRKF
GKATRRNKLKRWVREIFRRNKGVIPKGFDIVVIPRKKLSEEFERVDFWTV
REKLLNLLKRI
Ligand information
Ligand ID9TF
InChIInChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
InChIKeyBBNQQADTFFCFGB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O
OpenEye OEToolkits 2.0.6c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O
ACDLabs 12.01c2cc1C(c3c(c(cc(c3C(c1cc2)=O)O)O)O)=O
FormulaC14 H8 O5
NamePurpurin
ChEMBLCHEMBL294264
DrugBank
ZINCZINC000003861633
PDB chain6max Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6max A screening platform to monitor RNA processing and protein-RNA interactions in ribonuclease P uncovers a small molecule inhibitor.
Resolution1.42 Å
Binding residue
(original residue number in PDB)		Q28 V33 R89
Binding residue
(residue number reindexed from 1)		Q24 V29 R85
Annotation score1
Binding affinityMOAD: Ki=1.9uM
Enzymatic activity
Enzyme Commision number 3.1.26.5: ribonuclease P.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0003723 RNA binding
GO:0004519 endonuclease activity
GO:0004526 ribonuclease P activity
GO:0042781 3'-tRNA processing endoribonuclease activity
Biological Process
GO:0001682 tRNA 5'-leader removal
GO:0008033 tRNA processing
GO:0042780 tRNA 3'-end processing
Cellular Component
GO:0030677 ribonuclease P complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6max, PDBe:6max, PDBj:6max
PDBsum6max
PubMed30997498
UniProtQ9X1H4|RNPA_THEMA Ribonuclease P protein component (Gene Name=rnpA)

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