Structure of PDB 6b0c Chain K Binding Site BS02

Receptor Information
>6b0c Chain K (length=336) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SITVCVRKRPISRKEVNRKEIDVISVPRKDMLIVHEPRSKVDLTKFLENH
KFRFDYAFNDTCDNAMVYKYTAKPLVKTIFEGGMATCFAYGQTGSGKTHT
MGGEFNGKVQDCKNGIYAMAAKDVFVTLNMPRYRAMNLVVSASFFEIYSG
KVFDLLSDKQKLRVLEDGKQQVQVVGLTEKVVDGVEEVLKLIQHGNAART
SGQTSANSNSSRSHAVFQIVLRPQGSTKIHGKFSFIDLAGNERGVDTSSA
DRQTRMEGAEINKSLLALKECIRALGKQSAHLPFRVSKLTQVLRDSFIGE
KSKTCMIAMISPGLSSCEHTLNTLRYADRVKELVVK
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 chain6b0c Chain K Residue 702 [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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PDB6b0c Cryo-EM reveals the structural basis of microtubule depolymerization by kinesin-13s.
Resolution3.51 Å
Binding residue
(original residue number in PDB)		R284 P287 G371 S372 G373 K374 T375 H376 F382 S487 S488
Binding residue
(residue number reindexed from 1)		R7 P10 G94 S95 G96 K97 T98 H99 F105 S210 S211
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:6b0c, PDBe:6b0c, PDBj:6b0c
PDBsum6b0c
PubMed29695795
UniProtQ960Z0|KI10A_DROME Kinesin-like protein Klp10A (Gene Name=Klp10A)

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