Structure of PDB 6a20 Chain A Binding Site BS01

Receptor Information
>6a20 Chain A (length=395) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDSKVKVAVRVRPMNRREIDLHTKCVVDVEANKVILNPINTARGQPKIFA
YDHCFWSMDESVREKCAGQDDVFKCLGENILQNAFDGYNACIFAYGQTGS
GKSYTMMGTADQPGLIPRLCSGLFERTQKEENEEQSFKVEVSYMEIYNEK
VRDLLDPKGSRQTLKVREHSVLGPYVDGLSKLAVTSYKDIESLMSEGNKS
RTVAATEESSRSHAVFKITLTHTLYGTSGEKVGKLSLVDLAGSERATSNI
NKSLTTLGLVISALADKNKFVPYRDSVLTWLLKDSLGGNSKTAMVATVSP
AADNYDETLSTLRYADRAKHIINHAVVNEDPNARIIRDLREEVEKLREQL
TKPELKDRLEESEKLIQEMTVTWEEKLRKTEEIAQERQKQLESHH
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 chain6a20 Chain A Residue 501 [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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PDB6a20 Coiled-coil 1-mediated fastening of the neck and motor domains for kinesin-3 autoinhibition.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R11 R13 P14 T105 G106 G108 K109 S110 Y111
Binding residue
(residue number reindexed from 1)		R10 R12 P13 T98 G99 G101 K102 S103 Y104
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:6a20, PDBe:6a20, PDBj:6a20
PDBsum6a20
PubMed30463954
UniProtA0A0G2K8Z9

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