Structure of PDB 7p06 Chain A Binding Site BS01

Receptor Information
>7p06 Chain A (length=1350) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPKLDPNSENFSSAAWVKNMAHLSAADPDFYKPYSLGCAWKNLSASGASA
DVAYQSTVVNIPYKILKSGLRKFNTFQILKPMDGCLNPGELLVVLGRPGS
GCTTLLKSISSNTHGFDLGADTKISYSGYSGDDIKKHFRGEVVYNAEADV
HLPHLTVFETLVTVARLKTPQNRIKGVDRESYANHLAEVAMATYGLSHTR
NTKVGNDIVRGVSGGERKRVSIAEVSICGSKFQCWDNATRGLDSATALEF
IRALKTQADISNTSATVAIYQCSQDAYDLFNKVCVLDDGYQIYYGPADKA
KKYFEDMGYVCPSRQTTADFLTSVTSPSERTLNKDMLKKGIHIPQTPKEM
NDYWVKSPNYKELMKEVDQRLLNDDEASREAIKEAHIAKQSKRARPSSPY
TVSYMMQVKYLLIRNMWRLRNNIGFTLFMILGNCSMALILGSMFFKIMKK
GDTSTFYFRGSAMFFAILFNAFSSLLEIFSLYEARPITEKHRTYSLYHPS
ADAFASVLSEIPSKLIIAVCFNIIFYFLVDFRRNGGVFFFYLLINIVAVF
SMSHLFRCVGSLTKTLSEAMVPASMLLLALSMYTGFAIPKKKILRWSKWI
WYINPLAYLFESLLINEFHGIKFPCAEYVPRGPAYANISSTESVCTVVGA
VPGQDYVLGDDFIRGTYQYYHKDKWRGFGIGMAYVVFFFFVYLFLCEYNE
GAKQKGEILVFPRSIVKRMGLSKSEAIFHWRNLCYEVQIKAETRRILNNV
DGWVKPGTLTALMGASGAGKTTLLDCLAERVTMGVITGDILVNGIPRDKS
FPRSIGYCQQQDLHLKTATVRESLRFSAYLRQPAEVSIEEKNRYVEEVIK
ILEMEKYADAVVGVAGEGLNVEQRKRLTIGVELTAKPKLLVFLDEPTSGL
DSQTAWSICQLMKKLANHGQAILCTIHQPSAILMQEFDRLLFMQRGGKTV
YFGDLGEGCKTMIDYFESHGAHKCPADANPAEWMLEVVGAAPGSHANQDY
YEVWRNSEEYRAVQSELDWMERELPHEFSQSIIYQTKLVSIRLFQQYWRS
PDYLWSKFILTIFNQLFIGFTFFKAGTSLQGLQNQMLAVFMFTVIFNPIL
QQYLPSFVQQRDLYEARERPSRTFSWISFIFAQIFVEVPWNILAGTIAYF
IYYYPIGFYSNASAAGQLHERGALFWLFSCAFYVYVGSMGLLVISFNQVA
ESAANLASLLFTMSLSFCGVMTTPSAMPRFWIFMYRVSPLTYFIQALLAV
GVANVDVKCADYELLEFTPPSGMTCGQYMEPYLQLAKTGYLTDENATDTC
SFCQISTTNDYLANVNSFYSERWRNYGIFICYIAFNYIAGVFFYWLARVP
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 chain7p06 Chain A Residue 1701 [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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PDB7p06 Structure and efflux mechanism of the yeast pleiotropic drug resistance transporter Pdr5.
Resolution3.77 Å
Binding residue
(original residue number in PDB)		I175 G196 G198 T200 T201 E244 Y367 E804 N1011
Binding residue
(residue number reindexed from 1)		I78 G99 G101 T103 T104 E147 Y270 E707 N870
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008559 ABC-type xenobiotic transporter activity
GO:0016887 ATP hydrolysis activity
GO:0042626 ATPase-coupled transmembrane transporter activity
GO:0042802 identical protein binding
GO:0140359 ABC-type transporter activity
Biological Process
GO:0009410 response to xenobiotic stimulus
GO:0030003 intracellular monoatomic cation homeostasis
GO:0046677 response to antibiotic
GO:0046898 response to cycloheximide
GO:0055085 transmembrane transport
GO:1990961 xenobiotic detoxification by transmembrane export across the plasma membrane
Cellular Component
GO:0005739 mitochondrion
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0071944 cell periphery

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7p06, PDBe:7p06, PDBj:7p06
PDBsum7p06
PubMed34489436
UniProtP33302|PDR5_YEAST Pleiotropic ABC efflux transporter of multiple drugs (Gene Name=PDR5)

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