Structure of PDB 6a1z Chain A Binding Site BS01

Receptor Information
>6a1z Chain A (length=352) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKVKVAVRVRPMNRREIDLHTKCVVDVEANKVILNPINQPKIFAYDHCFW
SMDESVREKYAGQDDVFKCLGENILQNAFDGYNACIFAYGQTGSGKSYTM
MGTADQPGLIPRLCSGLFERTQKEENEEQSFKVEVSYMEIYNEKVRDLLD
PKGSRQTLKVREHSVLGPYVDGLSKLAVTSYKDIESLMSEGNKSRTVASS
RSHAVFKITLTHTLYDVKSGTSGEKVGKLSLVDLAGSENINKSLTTLGLV
ISALADQGAGKNKNKFVPYRDSVLTWLLKDSLGGNSKTAMVATVSPAADN
YDETLSTLRYADRAKHIINHAVVNEDPNARIIRDLREEVEKLREQLTKAE
AM
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 chain6a1z Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6a1z Coiled-coil 1-mediated fastening of the neck and motor domains for kinesin-3 autoinhibition.
Resolution2.58 Å
Binding residue
(original residue number in PDB)		R13 P14 T105 G106 G108 K109 S110 Y111
Binding residue
(residue number reindexed from 1)		R10 P11 T92 G93 G95 K96 S97 Y98
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:6a1z, PDBe:6a1z, PDBj:6a1z
PDBsum6a1z
PubMed30463954
UniProtA0A0G2K8Z9

[Back to BioLiP]