Structure of PDB 8pf2 Chain B Binding Site BS01

Receptor Information
>8pf2 Chain B (length=172) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPISFVFNRFPRMVRDLAKKMNKEVNFIMRGEDTELDRTFVEEIGEPLLH
LLRNAIDHGIEPKEERIAKGKPPIGTLILSARHEGNNVVIEVEDDGRGID
KEKIIRKAIEKGLIDESKAATLSDQEILNFLFVPGFSVGMDVVKNVVESL
NGSISIESEKDKGTKVTIRLPL
Ligand information
Ligand IDRCO
InChIInChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
InChIKeyGHMLBKRAJCXXBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(cc(c1)O)O
ACDLabs 10.04
CACTVS 3.341		Oc1cccc(O)c1
FormulaC6 H6 O2
NameRESORCINOL;
1,3-BENZENEDIOL;
1,3-DIHYDROXYBENZENE
ChEMBLCHEMBL24147
DrugBankDB11085
ZINCZINC000000002028
PDB chain8pf2 Chain B Residue 201 [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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PDB8pf2 Repurposing Hsp90 inhibitors as antimicrobials targeting two-component systems identifies compounds leading to loss of bacterial membrane integrity.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		N58 D98 I103 T180
Binding residue
(residue number reindexed from 1)		N54 D94 I99 T164
Annotation score1
External links
PDB RCSB:8pf2, PDBe:8pf2, PDBj:8pf2
PDBsum8pf2
PubMed38917423
UniProtQ56310|CHEA_THEMA Chemotaxis protein CheA (Gene Name=cheA)

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