Structure of PDB 4dxd Chain A Binding Site BS02

Receptor Information
>4dxd Chain A (length=307) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATLKVIGVGGGGNNAVNRMIDHGMNNVEFIAINTDGQALNLSKAESKIQI
GEKLTRGLGAGANPEIGKKAAEESREQIEDAIQGADMVFVTSGMGGGTGT
GAAPVVAKIAKEMGALTVGVVTRPFSFEGRKRQTQAAAGVEAMKAAVDTL
IVIPNDRLLDIVDKSTPMMEAFKEADNVLRQGVQGISDLIAVSGEVNLDF
ADVKTIMSNQGSALMGIGVSSGENRAVEAAKKAISSPLLETSIVGAQGVL
MNITGGESLSLFEAQEAADIVQDAADEDVNMIFGTVINPELQDEIVVTVI
ATGFDDK
Ligand information
Ligand ID9PC
InChIInChI=1S/C14H8ClF2N3O2S/c15-6-3-8-14(19-4-6)23-10(20-8)5-22-9-2-1-7(16)11(12(9)17)13(18)21/h1-4H,5H2,(H2,18,21)
InChIKeyINYJNSBDHOVLAH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NC(=O)c1c(F)ccc(OCc2sc3ncc(Cl)cc3n2)c1F
ACDLabs 12.01Fc3ccc(OCc1nc2cc(Cl)cnc2s1)c(F)c3C(=O)N
OpenEye OEToolkits 1.7.6c1cc(c(c(c1OCc2nc3cc(cnc3s2)Cl)F)C(=O)N)F
FormulaC14 H8 Cl F2 N3 O2 S
Name3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide;
PC190723
ChEMBLCHEMBL511201
DrugBank
ZINCZINC000040878032
PDB chain4dxd Chain A Residue 402 [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]
PDB4dxd Restoring methicillin-resistant Staphylococcus aureus susceptibility to beta-lactam antibiotics.
Resolution2.01 Å
Binding residue
(original residue number in PDB)		Q192 G193 G196 D199 L200 V203 G205 N208 L209 G227 N263 V297 T309 I311
Binding residue
(residue number reindexed from 1)		Q181 G182 G185 D188 L189 V192 G194 N197 L198 G216 N252 V286 T298 I300
Annotation score1
Binding affinityBindingDB: IC50=55nM,EC50=4000nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0000917 division septum assembly
GO:0043093 FtsZ-dependent cytokinesis
GO:0051258 protein polymerization
GO:0051301 cell division
GO:0090529 cell septum assembly
Cellular Component
GO:0005737 cytoplasm
GO:0032153 cell division site

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4dxd, PDBe:4dxd, PDBj:4dxd
PDBsum4dxd
PubMed22440737
UniProtP0A031|FTSZ_STAAU Cell division protein FtsZ (Gene Name=ftsZ)

[Back to BioLiP]