Structure of PDB 7p05 Chain A Binding Site BS03

Receptor Information
>7p05 Chain A (length=1353) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NYNGFDEHTEARIQKLARTLTAQSMQDPKLDPNSENFSSAAWVKNMAHLS
AADPDFYKPYSLGCAWKNLSASGASADVAYQSTVVNIPYKILKSGLRKFQ
TNTFQILKPMDGCLNPGELLVVLGRPGSGCTTLLKSISSNTHGFDLGADT
KISYSGYSGDDIKKHFRGEVVYNAEADVHLPHLTVFETLVTVARLKTPQN
RIKGVDRESYANHLAEVAMATYGLSHTRNTKVGNDIVRGVSGGERKRVSI
AEVSICGSKFQCWDNATRGLDSATALEFIRALKTQADISNTSATVAIYQC
SQDAYDLFNKVCVLDDGYQIYYGPADKAKKYFEDMGYVCPSRQTTADFLT
SVTSPSERTLNKDMLKKGIHIPQTPKEMNDYWVKSPNYKELMKEVDQRLL
NPYTVSYMMQVKYLLIRNMWRLRNNIGFTLFMILGNCSMALILGSMFFKI
MKKGDTSTFYFRGSAMFFAILFNAFSSLLEIFSLYEARPITEKHRTYSLY
HPSADAFASVLSEIPSKLIIAVCFNIIFYFLVDFRRNGGVFFFYLLINIV
AVFSMSHLFRCVGSLTKTLSEAMVPASMLLLALSMYTGFAIPKKKILRWS
KWIWYINPLAYLFESLLINEFHGIKFPCAEYVPRGPAYANISSTESVCTV
VGAVPGQDYVLGDDFIRGTYQYYHKDKWRGFGIGMAYVVFFFFVYLFLCE
YNEGAKQKGEILVFPRSIVKRMGLSKSEAIFHWRNLCYEVQIKAETRRIL
NNVDGWVKPGTLTALMGASGAGKTTLLDCLAERVTMGVITGDILVNGIPR
DKSFPRSIGYCQQQDLHLKTATVRESLRFSAYLRQPAEVSIEEKNRYVEE
VIKILEMEKYADAVVGVAGEGLNVEQRKRLTIGVELTAKPKLLVFLDEPT
SGLDSQTAWSICQLMKKLANHGQAILCTIHQPSAILMQEFDRLLFMQRGG
KTVYFGDLGEGCKTMIDYFESHGAHKCPADANPAEWMLEVVGAAPGSHAN
QDYYEVWRNSEEYRAVQSELDWMERELPHEFSQSIIYQTKLVSIRLFQQY
WRSPDYLWSKFILTIFNQLFIGFTFFKAGTSLQGLQNQMLAVFMFTVIFN
PILQQYLPSFVQQRDLYEARERPSRTFSWISFIFAQIFVEVPWNILAGTI
AYFIYYYPIGFYSNASAAGQLHERGALFWLFSCAFYVYVGSMGLLVISFN
QVAESAANLASLLFTMSLSFCGVMTTPSAMPRFWIFMYRVSPLTYFIQAL
LAVGVANVDVKCADYELLEFTPPSGMTCGQYMEPYLQLAKTGYLTDENAT
DTCSFCQISTTNDYLANVNSFYSERWRNYGIFICYIAFNYIAGVFFYWLA
RVP
Ligand information
Ligand IDRHQ
InChIInChI=1S/C28H30N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,29H,6-8H2,1-5H3/p+1/b30-24-
InChIKeyIWWWBRIIGAXLCJ-KRUMMXJUSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.5CCNc1cc2c(cc1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)c4ccccc4C(=O)OCC
CACTVS 3.385CCNc1cc2OC3=CC(=[NH+]CC)C(=CC3=C(c4ccccc4C(=O)OCC)c2cc1C)C
ACDLabs 10.04O=C(OCC)c4ccccc4C=1c3c(OC=2C=1C=C(\C(=[NH+]/CC)C=2)C)cc(c(c3)C)NCC
OpenEye OEToolkits 1.7.5CCNc1cc2c(cc1C)C(=C3C=C(/C(=[NH+]\CC)/C=C3O2)C)c4ccccc4C(=O)OCC
FormulaC28 H31 N2 O3
NameRHODAMINE 6G
ChEMBL
DrugBank
ZINC
PDB chain7p05 Chain A Residue 1603 [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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PDB7p05 Structure and efflux mechanism of the yeast pleiotropic drug resistance transporter Pdr5.
Resolution3.13 Å
Binding residue
(original residue number in PDB)		M526 N530 F566 F569 S570 S571 L573 L674 N1357 S1360 L1361
Binding residue
(residue number reindexed from 1)		M432 N436 F472 F475 S476 S477 L479 L580 N1208 S1211 L1212
Annotation score1
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:7p05, PDBe:7p05, PDBj:7p05
PDBsum7p05
PubMed34489436
UniProtP33302|PDR5_YEAST Pleiotropic ABC efflux transporter of multiple drugs (Gene Name=PDR5)

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