Structure of PDB 7kd8 Chain C Binding Site BS01

Receptor Information
>7kd8 Chain C (length=207) Species: 1196325 (Pseudomonas putida DOT-T1E) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTKEEAQETRAQIIEAAERAFYKRGVARTTLADIAELAGVTRGAIYWHFN
NKAELVQALLDSLHETHDHLARASESEDEVDPLGCMRKLLLQVFNELVLD
ARTRRINEILHHKCEFTDDMCEIRQQRQSAVLDIHKGWTLALANAVRRGQ
LPGELDAERAAVALYAYVDGLIRRWLLLPDSVDLLGDVEKWVDTGLDMLR
LSPALRK
Ligand information
Ligand IDSTL
InChIInChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
InChIKeyLUKBXSAWLPMMSZ-OWOJBTEDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C=Cc2cc(cc(c2)O)O)O
CACTVS 3.341Oc1ccc(cc1)C=Cc2cc(O)cc(O)c2
ACDLabs 10.04Oc2cc(\C=C\c1ccc(O)cc1)cc(O)c2
CACTVS 3.341Oc1ccc(cc1)/C=C/c2cc(O)cc(O)c2
OpenEye OEToolkits 1.5.0c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
FormulaC14 H12 O3
NameRESVERATROL
ChEMBLCHEMBL165
DrugBankDB02709
ZINCZINC000000006787
PDB chain7kd8 Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7kd8 Epistasis shapes the fitness landscape of an allosteric specificity switch.
Resolution1.71 Å
Binding residue
(original residue number in PDB)		H67 H70 I137 W141 Y168 D172 I175
Binding residue
(residue number reindexed from 1)		H64 H67 I134 W138 Y165 D169 I172
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000976 transcription cis-regulatory region binding
GO:0001217 DNA-binding transcription repressor activity
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0045892 negative regulation of DNA-templated transcription
Cellular Component
GO:0032993 protein-DNA complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7kd8, PDBe:7kd8, PDBj:7kd8
PDBsum7kd8
PubMed34548494
UniProtQ9AIU0|TTGR_PSEPT HTH-type transcriptional regulator TtgR (Gene Name=ttgR)

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