Structure of PDB 2xkb Chain D Binding Site BS01

Receptor Information
>2xkb Chain D (length=391) Species: 1430 (Bacillus thuringiensis serovar israelensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVLNSNELEHIHSTNHSVNDISIRWGVIGAGQKGNKEADLFAGYKFSNGT
TCYPTLAVNFAESDMMHLQNIIKEDRIHFDTPSVVTDLFDPETNPNANGY
LDKLAQELGRKFTNEEGEVIVDQFLICLGAGGGVGTGWGSLVLQLIREQF
FPCPVSMLISLPSGDPDEINNALVLLSEIDEFMREQDRLFGNSDIKPLAN
VIVNDNTQMQRIIESQNWKEVANDNVVSTLHEINIIPENYGSDNVTYDPS
DLIKLLSIPGRFLTIGKARIAKFDLHSLENSIKRSLDEGFFSAEHQFETA
TMYGGFVLRPSNADFFKDVNTENRIRNTLGEYKRLDEIAGKFGDPIWDNE
YAVCYTIFAGMTMPKRYISLAREGKELAEKQEQLRAEAQRK
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 chain2xkb Chain D 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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PDB2xkb Filament Structure of Bacterial Tubulin Homologue Tubz.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		G31 Q32 K33 G136 G138 G139 V141 G142 S167 P169 E175 N213 K237 N241
Binding residue
(residue number reindexed from 1)		G31 Q32 K33 G129 G131 G132 V134 G135 S160 P162 E168 N206 K219 N223
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.5.-
External links
PDB RCSB:2xkb, PDBe:2xkb, PDBj:2xkb
PDBsum2xkb
PubMed20974911
UniProtQ8KNP3|TUBZ_BACTI Tubulin-like protein TubZ (Gene Name=tubZ)

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