Structure of PDB 5xdt Chain A Binding Site BS04

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 IDMB3
InChIInChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
InChIKeySECXISVLQFMRJM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.0		CN1CCCC1=O
ACDLabs 12.01O=C1N(C)CCC1
FormulaC5 H9 N O
Name1-methylpyrrolidin-2-one
ChEMBLCHEMBL12543
DrugBankDB12521
ZINCZINC000003860621
PDB chain5xdt Chain A Residue 404 [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)		G22 T102 S103 G104 T133
Binding residue
(residue number reindexed from 1)		G13 T93 S94 G95 T124
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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