Structure of PDB 1v8k Chain A Binding Site BS01

Receptor Information
>1v8k Chain A (length=332) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PNWEFARMIKEFRVTMECSPLTVTDPIEEHRICVCVRKRPLNKQELAKKE
IDVISVPSKCLLLVHEPKLKVDLTKYLENQAFCFDFAFDETASNEVVYRF
TARPLVQTIFEGGKATCFAYGQTGSGKTHTMGGDLQNASKGIYAMASRDV
FLLKNQPRYRNLNLEVYVTFFEIYNGKVFDLLNKKAKLRVLEDSRQQVQV
VGLQEYLVTCADDVIKMINMGSACRTNSSRSHACFQILLRTKGRLHGKFS
LVDLAGNERMEGAEINKSLLALKECIRALGQFRESKLTQVLRDSFIGENS
RTCMIAMISPGISSCEYTLNTLRYADRVKELS
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain1v8k Chain A Residue 500 [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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PDB1v8k A common mechanism for microtubule destabilizers-M type kinesins stabilize curling of the protofilament using the class-specific neck and loops.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		R78 T164 G165 S166 G167 K168 T169 H170 L176 S281 S282
Binding residue
(residue number reindexed from 1)		R37 T123 G124 S125 G126 K127 T128 H129 L135 S228 S229
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
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Biological Process
External links
PDB RCSB:1v8k, PDBe:1v8k, PDBj:1v8k
PDBsum1v8k
PubMed14980225
UniProtQ922S8|KIF2C_MOUSE Kinesin-like protein KIF2C (Gene Name=Kif2c)

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