Structure of PDB 7p06 Chain A Binding Site BS03

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 IDAOV
InChIInChI=1S/C10H15N5O10P2.3H2O.O.V/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);3*1H2;;/q;;;;;+4/p-4/t4-,6-,7-,10-;;;;;/m1...../s1
InChIKeySWCHWRVRYDCWAN-AZGWGOJFSA-J
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)(O)O)O)O)N
OpenEye OEToolkits 1.6.1c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O[V](=O)(O)(O)O)O)O)N
CACTVS 3.352Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[V](O)(O)(O)=O)[CH](O)[CH]3O
CACTVS 3.352Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[V](O)(O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H17 N5 O14 P2 V
NameADP ORTHOVANADATE
ChEMBL
DrugBank
ZINC
PDB chain7p06 Chain A Residue 1703 [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)		T299 R307 S310 G312 E313 V878 I880 I887 S907 G908 A909 G910 K911 T912 T913 M924 Q951 H1068
Binding residue
(residue number reindexed from 1)		T202 R210 S213 G215 E216 V737 I739 I746 S766 G767 A768 G769 K770 T771 T772 M783 Q810 H927
Annotation score4
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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