Structure of PDB 2xka Chain F Binding Site BS01

Receptor Information
>2xka Chain F (length=414) Species: 1430 (Bacillus thuringiensis serovar israelensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVLNSNELEHIHSTNHSVNDISIRWGVIGAGQKGNKEADLFAGYKFSNGT
TCYPTLAVNFAESDMMHLQNIIKEDRIHFDGLKGAARTPSVVTDLFDPET
NPNANGYLDKLAQELGRKFTNEEGEVIVDQFLICLGAGGGVGTGWGSLVL
QLIREQFFPCPVSMLISLPSGDPDEINNALVLLSEIDEFMREQDRLFGNS
DIKPLANVIVNDNTQMQRIIESQNRYVNWKEVANDNVVSTLHEINIIPEN
YGSDNVTYDPSDLIKLLSIPGRFLTIGKARIAKFDLHSLENSIKRSLDEG
FFSAEHQFETATMYGGFVLRPSNADFFKDVNTENRIRNTLGEYKRLDEIA
GKFGDPIWDNEYAVCYTIFAGMTMPKRYISLAREGKELAEKQEQLRAEAQ
RKQDEEKVDISFAT
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 chain2xka Chain F Residue 900 [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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PDB2xka Filament Structure of Bacterial Tubulin Homologue Tubz.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		G31 Q32 K33 K36 A85 R87 G139 G140 V141 G142 E175 N213 K237 N241
Binding residue
(residue number reindexed from 1)		G31 Q32 K33 K36 A85 R87 G139 G140 V141 G142 E175 N213 K230 N234
Annotation score3
Enzymatic activity
Enzyme Commision number 3.6.5.-
External links
PDB RCSB:2xka, PDBe:2xka, PDBj:2xka
PDBsum2xka
PubMed20974911
UniProtQ8KNP3|TUBZ_BACTI Tubulin-like protein TubZ (Gene Name=tubZ)

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