Structure of PDB 6iy8 Chain D Binding Site BS01

Receptor Information
>6iy8 Chain D (length=469) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDPEFTNLIHFQSTEGKIWLGEQRMLLLQVSAMASFRREMVNTLGIERAK
GFFLRQGYQSGLKDAELARKLRPNASEYDMFLAGPQLHSLKGLVKVRPTE
VDIDKESGRFYAEMEWIDSFEVEISQTDLGQMQDPVCWTLLGYACAYSSA
FMGREIIFKEVSCRGCGGDKCRVIGKPAEEWDDVASFKQYFKNDPIIEEL
YELQSQLVSLRTNLDKQEGQYYGIGQTPAYQTVRNMMDKAAQGKVSVLLL
GETGVGKEVIARSVHLRSKRAAEPFVAVNCAAIPPDLIESELFGVEKGAF
TGATQSRMGRFERADKGTIFLDEVIELSPRAQASLLRVLQEGELERVGDN
RTRKIDVRVIAATHEDLAEAVKAGRFRADLYYRLNVFPVAIPALRERRED
IPLLVEHFLQRFHQEYGKRTLGLSDKALEACLHYSWPGNIRELENVIERG
IILTDPNESISVQALFPRA
Ligand information
Ligand IDIPH
InChIInChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKeyISWSIDIOOBJBQZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		Oc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)O
FormulaC6 H6 O
NamePHENOL
ChEMBLCHEMBL14060
DrugBankDB03255
ZINCZINC000005133329
PDB chain6iy8 Chain D Residue 600 [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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PDB6iy8 Tetrameric architecture of an active phenol-bound form of the AAA+transcriptional regulator DmpR.
Resolution3.42 Å
Binding residue
(original residue number in PDB)		H100 M126 W128 A156
Binding residue
(residue number reindexed from 1)		H88 M114 W116 A144
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008134 transcription factor binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006355 regulation of DNA-templated transcription

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Molecular Function
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Biological Process
External links
PDB RCSB:6iy8, PDBe:6iy8, PDBj:6iy8
PDBsum6iy8
PubMed32483114
UniProtQ7WSM9

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