Structure of PDB 4b45 Chain A Binding Site BS02

Receptor Information
>4b45 Chain A (length=334) Species: 2246 (Haloferax volcanii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKTVLIGVGQAGGKLASALQSFDRQTGFGAVLDAVAVNTAKADLQSLPVE
TVLIGQDRVNGHGVGGDNELGAAVMESDQTEVMSALDGRVTAEAESIFVV
AGLGGGSGSGGAPVLAKALAGVYDVPVYVLGILPGADEGALYQVNAGRSL
KTVAREADAVLLVDNDAFRSAGESMSEGYDAINEAIARRVGLLLAAGEAV
VDTSEVINTLRSGGIAALGYASAEASPNAEDNINAVMSTTRRAVLTGTSL
PDASDADAALVVIAGEPDTIPRKGVERARRWVEDETGSMQVRGGDFPLES
GRLASLVLLGGVERSERVESFMERAREAIDKAET
Ligand information
Ligand IDGSP
InChIInChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXOFLBQFBSOEHOG-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
ACDLabs 10.04S=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O13 P3 S
Name5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE
ChEMBLCHEMBL1204628
DrugBankDB01864
ZINCZINC000008217391
PDB chain4b45 Chain A Residue 1342 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4b45 Cetz Tubulin-Like Proteins Control Archaeal Cell Shape
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G9 Q10 A11 K14 G65 G66 G105 G106 S107 I132 E138 N165 Y179 N183
Binding residue
(residue number reindexed from 1)		G9 Q10 A11 K14 G65 G66 G105 G106 S107 I132 E138 N165 Y179 N183
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0008360 regulation of cell shape
GO:0051301 cell division
Cellular Component
GO:0005737 cytoplasm
GO:0032153 cell division site

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4b45, PDBe:4b45, PDBj:4b45
PDBsum4b45
PubMed25533961
UniProtD4GTC1|CETZ2_HALVD Tubulin-like protein CetZ2 (Gene Name=cetZ2)

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