Structure of PDB 5mn8 Chain B Binding Site BS01

Receptor Information
>5mn8 Chain B (length=299) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLKVIGVGGGGNNAVNRMIDHGMNNVEFIAINTDGQALNLSKAESKIQIG
EKLTRGLGAGANPEIGKKAAEESREQIEDAIQGADMVFVTSGMGGGTGTG
AAPVVAKIAKEMGALTVGVVTRPFSAEGRKRQTQAAAGVEAMKAAVDTLI
VIPNDRLLDIVDKSTPMMEAFKEADNVLRQGVQGISDLIAVNLDFADVKT
IMSNQGSALMGIGVSSGENRAVEAAKKAISSPLLETSIVGAQGVLMNITG
GESLSLFEAQEAADIVQDAADEDVNMIFGTVINPELQDEIVVTVIATGF
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain5mn8 Chain B 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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PDB5mn8 A Polymerization-Associated Structural Switch in FtsZ That Enables Treadmilling of Model Filaments.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		G21 G22 N25 A71 A73 G107 G108 T109 G110 P135 E139 F183 D187
Binding residue
(residue number reindexed from 1)		G9 G10 N13 A59 A61 G95 G96 T97 G98 P123 E127 F171 D175
Annotation score4
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:5mn8, PDBe:5mn8, PDBj:5mn8
PDBsum5mn8
PubMed28465423
UniProtP0A031|FTSZ_STAAU Cell division protein FtsZ (Gene Name=ftsZ)

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