Structure of PDB 5xdv Chain A Binding Site BS03

Receptor Information
>5xdv Chain A (length=305) Species: 282458 (Staphylococcus aureus subsp. aureus MRSA252) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MATLKVIGVGGGGNNAVNRMIDHGMNNVEFIAINTDGQALNLSKAESKIQ
IGEKLTRGLGAGANPEIGKKAAEESREQIEDAIQGADMVFVTSGMGGGTG
TGAAPVVAKIAKEMGALTVGVVTRPFSFEGRKRQTQAAAGVEAMKAAVDT
LIVIPNDRLLDIVDKSTPMMEAFKEADNVLRQGVQSISDLIAVSGEVNLD
FADVKTIMSNQGSALMGIGVSSGENRAVEAAKKAISSPLLETSIVGAQGV
LMNITGGESLSLFEAQEAADIVQDAADEDVNMIFGTVINPELQDEIVVTV
IATGF
Ligand information
Ligand IDZI6
InChIInChI=1S/C18H10BrF5N2O3/c19-16-15(8-1-3-9(4-2-8)18(22,23)24)26-12(29-16)7-28-11-6-5-10(20)13(14(11)21)17(25)27/h1-6H,7H2,(H2,25,27)
InChIKeyONGPJYSSZQHFBU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1c2c(oc(n2)COc3ccc(c(c3F)C(=O)N)F)Br)C(F)(F)F
CACTVS 3.385NC(=O)c1c(F)ccc(OCc2oc(Br)c(n2)c3ccc(cc3)C(F)(F)F)c1F
FormulaC18 H10 Br F5 N2 O3
Name3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide
ChEMBLCHEMBL3098779
DrugBank
ZINCZINC000103234461
PDB chain5xdv 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5xdv Structural Flexibility of an Inhibitor Overcomes Drug Resistance Mutations in Staphylococcus aureus FtsZ
Resolution1.7 Å
Binding residue
(original residue number in PDB)		F100 G193 S196 D199 L200 V203 N208 L209 M218 L261 N263 T309 V310 I311
Binding residue
(residue number reindexed from 1)		F90 G183 S186 D189 L190 V193 N198 L199 M208 L251 N253 T299 V300 I301
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:5xdv, PDBe:5xdv, PDBj:5xdv
PDBsum5xdv
PubMed28621933
UniProtQ6GHP9|FTSZ_STAAR Cell division protein FtsZ (Gene Name=ftsZ)

[Back to BioLiP]