Structure of PDB 6ysn Chain B Binding Site BS01

Receptor Information
>6ysn Chain B (length=606) Species: 9606,83333 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RIPLQIVRAETELSAEEKAFVNINCMDPLGRSALLIAIENENLYVGDALL
YAIRKEVVGAVELLLSQFSEFTPDITPIMLAAHTNNYEIIKLLVQKRVTI
PRPHQIRCNCVECVSSSEVDSLRHSRSRLNIYKALASPSLIALSSEDPIL
TAFRLGWELKELSKVENEFKAEYEELSQQCKLFAKDLLDQARSSRELEII
LNHRDLAKLKVAIKYHQKEFVAQPNCQQLLATLWYDGFPGWRRKHWVVKL
LTCMTIGFLFPMLSIAYLISPRSNLGLFIKKPFIKFICHTASYLTFLFML
LLASQDLHVQGPPPTVVEWMILPWVLGFIWGEIKEMWDGGYIHDWWNLMD
FAMNSLYLATISLKIMAYVKYNGSRPREEWEMWHPTLIAEALFAISNILS
SLRLISLFTANSHLGPLQISLGRMLLDILKFLFIYCLVLLAFANGLNQLY
FYYETRAIDEPNNCKGIRCEKQNNAFSTLFETLQSLFWSVFGLLNLYVTN
VKARHEFTEFVGATMFGTYNVISLVVLLNMLIAMMNNSYQLIADHADIEW
KFARTKLWMSYFDEGGTLPPPFNIINADSLIQNQHYQEVIRNLVKRYVAA
MIRNSK
Ligand information
Ligand IDPJQ
InChIInChI=1S/C23H20ClF3N4O5/c1-29-19-18(20(33)30(22(29)34)10-3-11-32)31(13-14-6-8-15(24)9-7-14)21(28-19)35-16-4-2-5-17(12-16)36-23(25,26)27/h2,4-9,12,32H,3,10-11,13H2,1H3
InChIKeyPRJHEJGMSOBHTO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4cccc(OC(F)(F)F)c4)nc12
OpenEye OEToolkits 2.0.7CN1c2c(n(c(n2)Oc3cccc(c3)OC(F)(F)F)Cc4ccc(cc4)Cl)C(=O)N(C1=O)CCCO
FormulaC23 H20 Cl F3 N4 O5
Name7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione
ChEMBLCHEMBL4466522
DrugBank
ZINC
PDB chain6ysn Chain B Residue 901 [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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PDB6ysn Human TRPC5 structures reveal interaction of a xanthine-based TRPC1/4/5 inhibitor with a conserved lipid binding site.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		Y524 C525 Q573 F576
Binding residue
(residue number reindexed from 1)		Y435 C436 Q484 F487
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005262 calcium channel activity
GO:0005515 protein binding
GO:0015144 carbohydrate transmembrane transporter activity
GO:1901982 maltose binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0006974 DNA damage response
GO:0008643 carbohydrate transport
GO:0015768 maltose transport
GO:0034219 carbohydrate transmembrane transport
GO:0034289 detection of maltose stimulus
GO:0042956 maltodextrin transmembrane transport
GO:0055085 transmembrane transport
GO:0060326 cell chemotaxis
GO:0070588 calcium ion transmembrane transport
Cellular Component
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:0043190 ATP-binding cassette (ABC) transporter complex
GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing
GO:1990060 maltose transport complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6ysn, PDBe:6ysn, PDBj:6ysn
PDBsum6ysn
PubMed33230284
UniProtP0AEX9|MALE_ECOLI Maltose/maltodextrin-binding periplasmic protein (Gene Name=malE);
Q9UL62|TRPC5_HUMAN Short transient receptor potential channel 5 (Gene Name=TRPC5)

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