Structure of PDB 7wrg Chain A Binding Site BS01

Receptor Information
>7wrg Chain A (length=812) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSIIVAVRVRPFNDREKTRNCKLVIEMPDEETTVIRDPKTNDEKRFTYDH
SYWSHDGFSEKKNGYLEPTDPHYADQRRVFEDLGRGVLANAWAGYNCSLF
AYGQTGSGKSYSIVGFKNNKGIVPIVCEELFKQIADNKKKNMQFEVFVSM
MEIYCEKVRDLLSSTPPPKGGLKVREHPKNGFYVENLTTVPVNSFKEIEA
KIEEGTKSRTIAATQMNATSSRAHTIVKITFNQKSSKQAGGTSMKKSEIN
LVDLAGSEEGDRLKEGIVINQSLTTLGRVIKALHDSQGKKTQIPYRDSVL
TCLLKNALGGNSKTIMIAAISPADINFEETLSTLRFADRAKSIKTNAVVN
ENQTERALRELREENLRLQSQIQGGTAGDASNEEIEKLRRQLAENQKEME
EMEKSWQQKIAEEAAKGASEKVEMEAKKKKMCHLWNLNEDPALTNVIVHF
IPVGESVVGNKPTSSGNFIQMSGLSILPQHVTLKNDGNNQIHLSPCSEDL
DIFINGKPVHGETQLQQNDRVFFGGNHLYVFNNPTKKGIRTDITYENAQA
EIAQNHAAALDLILEEELMSTLPLVQRANAMATELGRNVKFEIVLVSPEM
RGLTSGLTEIWVKVHNISEDTYFLWEKSRFMNRYYGMQEMYEAKQDGSED
WNMPKERDPFYEPPDSPVFIASSVVFLQSLAYLIDVEEQFPIVDLSGQEI
GLLTVGLSPCSTTGKELRGEYVEDPDQLIGKNIAFKVKVISAVGLPRRIL
KSNCKYRFFGSKKMTTTATVSGNTPAYGHEETFQFKPVTKEVADYLANSN
LYITFWGTQRPR
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 chain7wrg Chain A Residue 1001 [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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PDB7wrg The architecture of kinesin-3 KLP-6 reveals a multilevel-lockdown mechanism for autoinhibition.
Resolution3.16 Å
Binding residue
(original residue number in PDB)		R14 P15 T109 G110 G112 K113 S114 Y115
Binding residue
(residue number reindexed from 1)		R10 P11 T105 G106 G108 K109 S110 Y111
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003774 cytoskeletal motor activity
GO:0003777 microtubule motor activity
GO:0005524 ATP binding
GO:0008017 microtubule binding
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
Biological Process
GO:0007018 microtubule-based movement
GO:0030705 cytoskeleton-dependent intracellular transport
Cellular Component
GO:0005871 kinesin complex
GO:0005874 microtubule
GO:0030424 axon
GO:0030425 dendrite
GO:0031966 mitochondrial membrane
GO:0043025 neuronal cell body
GO:0097730 non-motile cilium

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7wrg, PDBe:7wrg, PDBj:7wrg
PDBsum7wrg
PubMed35879313
UniProtG5EFQ4

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