Structure of PDB 6si9 Chain A Binding Site BS01

Receptor Information
>6si9 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]
GHMATLKVIGVGGGGNNAVNRMIDHGMNNVEFIAINTDGQALNLSKAESK
IQIGEKLTRGLGAGANPEIGKKAAEESREQIEDAIQGADMVFVTSGMGGG
TGTGAAPVVAKIAKEMGALTVGVVTRPFSFEGRKRQTQAAAGVEAMKAAV
DTLIVIPNDRLLDIVDKSTPMMEAFKEADNVLRQGVQGISDLIAVSGEVN
LDFADVKTIMSNQGSALMGIGVSSGENRAVEAAKKAISSPLLETSIVGAQ
GVLMNITGGESLSLFEAQEAADIVQDAADEDVNMIFGTVINPELQDEIVV
TVIATGF
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain6si9 Chain A Residue 401 [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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PDB6si9 Nucleotide-induced folding of cell division protein FtsZ from Staphylococcus aureus.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G21 G22 G104 T109 G110 P135 E139 R143 N166 F183
Binding residue
(residue number reindexed from 1)		G13 G14 G96 T101 G102 P127 E131 R135 N158 F175
Annotation score4
Binding affinityMOAD: Kd=18.2nM
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:6si9, PDBe:6si9, PDBj:6si9
PDBsum6si9
PubMed31997533
UniProtP0A031|FTSZ_STAAU Cell division protein FtsZ (Gene Name=ftsZ)

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