Structure of PDB 8c0w Chain E Binding Site BS02

Receptor Information
>8c0w Chain E (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 chain8c0w Chain E 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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PDB8c0w Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate.
Resolution4.7 Å
Binding residue
(original residue number in PDB)		W731 T776 G777 K778 T779 L780 A941 Y944
Binding residue
(residue number reindexed from 1)		W731 T776 G777 K778 T779 L780 A941 Y944
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:8c0w, PDBe:8c0w, PDBj:8c0w
PDBsum8c0w
PubMed37741838
UniProtP33760|PEX6_YEAST Peroxisomal ATPase PEX6 (Gene Name=PEX6)

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