Structure of PDB 8c0v Chain F Binding Site BS01

Receptor Information
>8c0v Chain F (length=1030) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKASLTFSLSGIYAPCSISRDIYLEYGDKKAECLYGTIRLPQYGPGCTPG
KIVHCVLDDSLPFCSIVVPSKLFGFMPTQPTMDFCYFEPILDNVVPVLDS
VTFLINEQLYSKLMDLPQEMQQIQFLHYKYNINSMETVVHSRDILTSGLC
QILNCSPFPQGLVDFTETQLILVNDTEQKLSALKYANEDEEYALPKIGTN
SALSIDLESLPCTISRDLLRPAPHINDDNSIYAFTDAETLLRLDVTSGSF
ITVSNMGCVRLVKLFVLLLPNGFKKRTIYAPPKIIASFPDCSVVTISKSN
IGHTDIPIANQVFISRVGGWLQSQKCFQNIILTTLKKFFSESKRILCQND
LIPIAFDSSMADLNIAEENDESDDEDELGQYYKNDSLVWFFVTSAELDCF
SKDNSHFIIDPNRTKLITTNITNRRPLPLSRSNLQRYYGFAETFYYDLHI
FPYVRQLVNILETSFNCSQRGITLNASVLLHSTTNNVGKATMVRFASKYL
GIHLLEIDCLSLTSNSRQLDSTSKIIGYIRAKCENVLPYASPAVIFLAHL
DSILLDVNANQDPEAIKLQKSINFEMSKLLDDFTFKFPGTTFVGSVNNID
NVPSSFRSHMRFEILVPVPSEAQRLRIFQWYLSSHELNRDVQQKVPVSYM
DNISFSSLSSYSAGLTPLDIKSIVETARMTATARFYQESKKCGWLPQSIL
ITQEDLSKATSKARNEFSVSIGAPQIPNVTWDDIGGIDFVKGEILDTIDM
PLKHPELFTSGMKKRSGILFYGPPGTGKTLMAKAIATNFSLNFFSVKGPE
LLNMYIGESEANVRRVFQKAREAKPCVIFFDQIDSVAPKRGNQGDSGGVM
DRIVSQLLAELDGMSTDADGVFVIGATNRPDLLDEALLRPGRFDKLLYLG
IPDTDTKQLNILEALTRKFVLDNDVKLIELAKLCPFNYTGADFYALCSDA
MLNAMSRIARMVEKKVSQHNELTGENISTRRWFDKIATKEDTKVVVKMED
FLKAQEQLTPSVSRAELNHYEAVRANFEGA
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 chain8c0v Chain F Residue 1101 [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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PDB8c0v Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate.
Resolution4.1 Å
Binding residue
(original residue number in PDB)		F444 N486 G488 K489 T491 H549 Y631 L668 K671
Binding residue
(residue number reindexed from 1)		F444 N486 G488 K489 T491 H549 Y631 L668 K671
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: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:8c0v, PDBe:8c0v, PDBj:8c0v
PDBsum8c0v
PubMed37741838
UniProtP33760|PEX6_YEAST Peroxisomal ATPase PEX6 (Gene Name=PEX6)

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