Structure of PDB 2vvg Chain B Binding Site BS01

Receptor Information
>2vvg Chain B (length=309) Species: 5741 (Giardia intestinalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DNIKVIVRCRPLNARETRENALNIIRMDEASAQVIVDPPPRTFTFDAVYD
QTSCNYGIFQASFKPLIDAVLEGFNSTIFAYGQTGAGKTWTMGGNKEEPG
AIPNSFKHLFDAINSSSSNQNFLVIGSYLELYNEEIRDLIKNNTKLPLKE
DKTRGIYVDGLSMHRVTTAAELSALMDKGFANRSSRSHSIFMVRIECSEV
IEKEVIRVGKLNLVDLAGSERKINLSLSALGLVISKLVEGATHIPYRDSK
LTRLLQDSLGGNSKTLMCANISPASTNYDETMSTLRYADRAKQIKNKPRI
NEDPKDAQI
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain2vvg Chain B Residue 1351 [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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PDB2vvg High-Resolution Crystal Structure and in Vivo Function of a Kinesin-2 Homologue in Giardia Intestinalis.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		R11 R13 P14 T99 G100 G102 K103 T104 W105
Binding residue
(residue number reindexed from 1)		R8 R10 P11 T84 G85 G87 K88 T89 W90
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003777 microtubule motor activity
GO:0005524 ATP binding
GO:0008017 microtubule binding
Biological Process
GO:0007018 microtubule-based movement

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2vvg, PDBe:2vvg, PDBj:2vvg
PDBsum2vvg
PubMed18463165
UniProtA8BKD1|KIN2A_GIAIC Kinesin-2a (Gene Name=kin-2a)

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