Structure of PDB 8u0v Chain A Binding Site BS02

Receptor Information
>8u0v Chain A (length=821) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAIQLLKKVILRSTVCKMDFPKDNLFVVYISDGAQLPSQKGYASIVKCSL
RQSKKSDSDNKSVGIPSKKIGVFIKCDSQIPENHIALSSHLWDAFFTHPM
NGAKIKLEFLQMNQANIISGRNATVNIKYFGKDVPTKSGDQYSKLLGGSL
LTNNLILPTEQIIIEIKKGESEQQLCNLNEISNESVQWKVTQMGKEEVKD
IIERHLPKHYHVKETGEVSRTSKDEDDFITVNSIKKEMVNYLTSPIIATP
AIILDGKQGIGKTRLLKELINEVEKDHHIFVKYADCETLHETSNLDKTQK
LIMEWCSFCYWYGPSLIVLDNVEALFGKPQANDGDPSNNGQWDNASKLLN
FFINQVTKIFNKDNKRIRVLFSGKQKTQINPLLFDKHFVSETWSLRAPDK
HARAKLLEYFFSKNQIMKLNRDLQFSDLSLETEGFSPLDLEIFTEKIFYD
LQLERDCDNVVTRELFSKSLSAFTPSALRGVKLTKETNIKWGDIGALANA
KDVLLETLEWPTKYEPIFVNCPLRLRSGILLYGYPGCGKTLLASAVAQQC
GLNFISVKGPEILNKFIGASEQNIRELFERAQSVKPCILFFDEFDSIAPK
RGHDSTGVTDRVVNQLLTQMDGAEGLDGVYILAATSRPDLIDSALLRPGR
LDKSVICNIPTESERLDILQAIVNSKDKDTGQKKFALEKNADLKLIAEKT
AGFSGADLQGLCYNAYLKSVHRWLSAADQSEVVPGNDNIEYFSINEHGRR
EENRLRLKTLLQQDVVHETKTSTSAASELTAVVTINDLLEACQETKPSIS
TSELVKLRGIYDRFQKDRNGE
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain8u0v Chain A Residue 1102 [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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PDB8u0v The N1 domain of the peroxisomal AAA-ATPase Pex6 is required for Pex15 binding and proper assembly with Pex1.
Resolution3.89 Å
Binding residue
(original residue number in PDB)		D431 I465 G466 K467 T468 R469 F615 P642 L643 E646
Binding residue
(residue number reindexed from 1)		D226 I260 G261 K262 T263 R264 F410 P437 L438 E441
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0140318 protein transporter activity
Biological Process
GO:0007031 peroxisome organization
GO:0015031 protein transport
GO:0016558 protein import into peroxisome matrix
GO:0016562 protein import into peroxisome matrix, receptor recycling
GO:0043335 protein unfolding
Cellular Component
GO:0005737 cytoplasm
GO:0005777 peroxisome
GO:0005778 peroxisomal membrane
GO:0005829 cytosol
GO:0016020 membrane
GO:1904949 ATPase complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8u0v, PDBe:8u0v, PDBj:8u0v
PDBsum8u0v
PubMed38036174
UniProtP24004|PEX1_YEAST Peroxisomal ATPase PEX1 (Gene Name=PEX1)

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