Structure of PDB 8uyi Chain B Binding Site BS01

Receptor Information
>8uyi Chain B (length=369) Species: 121224 (Pediculus humanus corporis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DELEGICWEIREAVSKGVEQLQAANLDELDLGEPIAKGCNAVVYSAKLKH
QLAVKMMFNYDVESNSTAILKAMYRETVPAMSYFFKIRLPPHPNIVRMYS
VFADRNMSLFLVMKRYDCTLKEYLRDKTPNMRSSILLLSQLLEAVAHMNI
HNISHRDLKSDNILVDLSEGDAYPTIVITDFGCCLCDKQNGLVIPYRSED
QDKGGNRALMAPEIANAKPGTFSWLNYKKSDLWAVGAIAYEIFNIDNPFY
KLLSKSYKEEDLPELPDTIPFIIRNLVSNMLSRSTNKRLDCDVAATVAQL
YLWAPSSWLKENYTLPNSNEIIQWLLCLSSKVLCRRSLPEYELIASFLRR
VRLHLVRKGLKWIQELHIY
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 chain8uyi Chain B Residue 601 [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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PDB8uyi Interaction of PINK1 with nucleotides and kinetin.
Resolution3.13 Å
Binding residue
(original residue number in PDB)		A191 K193 M290 K291 R292 Y293 L341 D357
Binding residue
(residue number reindexed from 1)		A53 K55 M113 K114 R115 Y116 L164 D180
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8uyi, PDBe:8uyi, PDBj:8uyi
PDBsum8uyi
PubMed38241364
UniProtE0W1I1|PINK1_PEDHC Serine/threonine-protein kinase Pink1, mitochondrial (Gene Name=Pink1)

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