Structure of PDB 8htb Chain A Binding Site BS03

Receptor Information
>8htb Chain A (length=306) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMATLKVIGVGGGGNNAVNRMIDHGMNNVEFIAINTDGQALNLSKAESKI
QIGEKLTRGLGAGANPEIGKKAAEESREQIEDAIQGADMVFVTSGMGGGT
GTGAAPVVAKIAKEMGALTVGVVTRPFSFEGRKRQTQAAAGVEAMKAAVD
TLIVIPNDRLLDIVDKSTPMMEAFKEADNVLRQGVQGISDLIAVSGEVNL
DFADVKTIMSNQGSALMGIGVSSGENRAVEAAKKAISSPLLETSIVGAQG
VLMNITGGESLSLFEAQEAADIVQDAADEDVNMIFGTVINPELQDEIVVT
VIATGF
Ligand information
Ligand IDZI9
InChIInChI=1S/C16H9F2N3O2S/c1-2-8-5-10-16(20-6-8)24-12(21-10)7-23-11-4-3-9(17)13(14(11)18)15(19)22/h1,3-6H,7H2,(H2,19,22)
InChIKeySCUOMBYZGFZRIF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C#Cc1cc2c(nc1)sc(n2)COc3ccc(c(c3F)C(=O)N)F
CACTVS 3.385NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n2)C#C)c1F
FormulaC16 H9 F2 N3 O2 S
Name3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide
ChEMBL
DrugBank
ZINC
PDB chain8htb Chain A Residue 403 [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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PDB8htb Structural and Antibacterial Characterization of a New Benzamide FtsZ Inhibitor with Superior Bactericidal Activity and In Vivo Efficacy Against Multidrug-Resistant Staphylococcus aureus.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		G196 L200 V203 G205 N208 L209 M226 G227 N263 V297 T309 I311
Binding residue
(residue number reindexed from 1)		G187 L191 V194 G196 N199 L200 M217 G218 N254 V288 T300 I302
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding

View graph for
Molecular Function
External links
PDB RCSB:8htb, PDBe:8htb, PDBj:8htb
PDBsum8htb
PubMed36854145
UniProtQ6GHP9|FTSZ_STAAR Cell division protein FtsZ (Gene Name=ftsZ)

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