Structure of PDB 5xdt Chain A Binding Site BS03

Receptor Information
>5xdt Chain A (length=306) Species: 282458 (Staphylococcus aureus subsp. aureus MRSA252) [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 IDZI7
InChIInChI=1S/C15H8F5N3O2S/c16-7-1-2-9(12(17)11(7)13(21)24)25-5-10-23-8-3-6(15(18,19)20)4-22-14(8)26-10/h1-4H,5H2,(H2,21,24)
InChIKeyZVALMTAWSBJQSN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(c(c1OCc2nc3cc(cnc3s2)C(F)(F)F)F)C(=O)N)F
CACTVS 3.385NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n2)C(F)(F)F)c1F
FormulaC15 H8 F5 N3 O2 S
Name2,6-bis(fluoranyl)-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide
ChEMBLCHEMBL3909654
DrugBank
ZINC
PDB chain5xdt 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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PDB5xdt Structural Flexibility of an Inhibitor Overcomes Drug Resistance Mutations in Staphylococcus aureus FtsZ
Resolution1.3 Å
Binding residue
(original residue number in PDB)		G193 G196 I197 D199 L200 V203 N208 L209 M218 L261 N263 V297 I311
Binding residue
(residue number reindexed from 1)		G184 G187 I188 D190 L191 V194 N199 L200 M209 L252 N254 V288 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:5xdt, PDBe:5xdt, PDBj:5xdt
PDBsum5xdt
PubMed28621933
UniProtQ6GHP9|FTSZ_STAAR Cell division protein FtsZ (Gene Name=ftsZ)

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