Structure of PDB 8sx7 Chain A Binding Site BS01

Receptor Information
>8sx7 Chain A (length=1188) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PNPLRNANLCSRIFFWWLNPLFKIGHKRRLEEDDMYSVLPEDRSQHLGEE
LQGYWDQEVLRAEKDAREPSLTKAIIKCYWKSYVVLGIFTLIEESTRVVQ
PIILGKIIGYFENYDPSDSAALYEAHGYAGVLSACTLVLAILHHLYFYHV
QCAGMRLRVAMCHMIYRKALRLSNSAMGKTTTGQIVNLLSNDVNKFDQVT
IFLHFLWAGPLQAIVVTALLWMEIGISCLAGMAVLIILLPLQSCIGKLFS
SLRSKTAAFTDTRIRTMNEVITGIRIIKMYAWEKSFADLITNLRRKEISK
ILRSSYLRGMNLASFFVASKIIVFVTFTTYVFLGNVITASRVFVAVSLYG
AVRLTVTLFFPSAVEKVSEAFVSIRRIKNFLLLDEIVNVQDFTAFWDKAS
DTPTLQSLSFTVRPGELLAVVGPVGAGKSSLLSAVLGELPPNQGQVSVHG
RIAYVSQQPWVFSGTVRSNILFGKKYEKERYEKVIKACALKKDLQLLEDG
DLTMIGDRGTTLSGGQKARVNLARAVYQDADIYLLDDPLSAVDAEVSRHL
FELCICQALHEKIRILVTHQLQYLKAASQILILKDGQMVQKGEGKVGFKA
YKNYFTAGAHWFIIIFLILVNLAAQVSYILQDWWLSYWANQQSALTEKLD
LNWYLGIYSGLTASTVLFGIVRSLLVFFVLVSSSQTLHNQMFESILRAPV
LFFDRNPIGRILNRFSKDIGHMDDLLPLTYLDFIQTFLQVIGVVGVAVAV
IPWIAIPLVPLGIVFFVLRRYFLETSRDVKRLESTTRSPVFSHLSSSLQG
LWTIRAYKAEQRFQELFDSHQDLHSEAWFLFLTTSRWFAVRLDAICAVFV
IVVAFGSLILAKTLDAGQVGLALSYALTLMGMFQWCVRQSAEVENMMISV
ERVIEYTDLEKEAPWEYQKRPLPSWPHEGVIIFDNVNFSYSLDGPLVLKH
LTALIKSKEKVGIVGRTGAGKSSLIAALFRLSEPEGKIWIDKILTTEIGL
HDLRKKMSIIPQEPVLFTGTMRKNLDPFNEHSDEELWNALEEVQLKEAIE
DLPGKMDTELAESGSNFSVGQRQLVCLARAILRKNRILIIDEATANVDPR
TDELIQKKIREKFAHCTVLTIAHRLNTIIDSDKIMVLDSGRLKEYDEPYV
LLQNRDSLFYKMVQQLGKAEAAALTETAKQVYFKRNYP
Ligand information
Ligand IDZWY
InChIInChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1
InChIKeyCZWCKYRVOZZJNM-USOAJAOKSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)O[S](O)(=O)=O)[C@@H]1CCC2=O
OpenEye OEToolkits 2.0.7C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C
CACTVS 3.385C[C]12CC[CH]3[CH](CC=C4C[CH](CC[C]34C)O[S](O)(=O)=O)[CH]1CCC2=O
OpenEye OEToolkits 2.0.7CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)O)C
ACDLabs 12.01O=S(=O)(O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
FormulaC19 H28 O5 S
Name17-oxoandrost-5-en-3beta-yl hydrogen sulfate;
Dehydroepiandrosterone sulfate;
DHEA sulfate;
DHEA-S
ChEMBLCHEMBL259898
DrugBankDB05804
ZINCZINC000004096458
PDB chain8sx7 Chain A Residue 1401 [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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PDB8sx7 Structural basis of prostaglandin efflux by MRP4.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		F156 Q845 Q849 W995
Binding residue
(residue number reindexed from 1)		F147 Q735 Q739 W885
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0042626 ATPase-coupled transmembrane transporter activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8sx7, PDBe:8sx7, PDBj:8sx7
PDBsum8sx7
PubMed38216659
UniProtF1MUC1

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