Structure of PDB 8iz7 Chain A Binding Site BS01

Receptor Information
>8iz7 Chain A (length=1229) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YQEVKPNPLQDANLCSRVFFWWLNPLFKIGHKRRLEEDDMYSVLPEDRSQ
HLGEELQGFWDKEVLRAENDAQKPSLTRAIIKCYWKSYLVLGIFTLIEES
AKVIQPIFLGKIINYFENYDPMDSVALNTAYAYATVLTFCTLILAILHHL
YFYHVQCAGMRLRVAMCHMIYRKALRLSNMAMGKTTTGQIVNLLSNDVNK
FDQVTVFLHFLWAGPLQAIAVTALLWMEIGISCLAGMAVLIILLPLQSCF
GKLFSSLRSKTATFTDARIRTMNEVITGIRIIKMYAWEKSFSNLITNLRK
KEISKILRSSCLRGMNLASFFSASKIIVFVTFTTYVLLGSVITASRVFVA
VTLYGAVRLTVTLFFPSAIERVSEAIVSIRRIQTFLLLDEISQRNDGKKM
VHVQDFTAFWDKASETPTLQGLSFTVRPGELLAVVGPVGAGKSSLLSAVL
GELAPSHGLVSVHGRIAYVSQQPWVFSGTLRSNILFGKKYEKERYEKVIK
ACALKKDLQLLEDGDLTVIGDRGTTLSGGQKARVNLARAVYQDADIYLLD
DPLSAVDAEVSRHLFELCICQILHEKITILVTHQLQYLKAASQILILKDG
KMVQKGTYTEFLKSGIDFGSLLKKKVGFQAYKNYFRAGAHWIVFIFLILL
NTAAQVAYVLQDWWLSYWANKQSMLNVTVNGGGNVTEKLDLNWYLGIYSG
LTVATVLFGIARSLLVFYVLVNSSQTLHNKMFESILKAPVLFFDRNPIGR
ILNRFSKDIGHLDDLLPLTFLDFIQTLLQVVGVVSVAVAVIPWIAIPLVP
LGIIFIFLRRYFLETSRDVKRLESTTRSPVFSHLSSSLQGLWTIRAYKAE
ERCQELFDAHQDLHSEAWFLFLTTSRWFAVRLDAICAMFVIIVAFGSLIL
AKTLDAGQVGLALSYALTLMGMFQWCVRQSAEVENMMISVERVIEYTDLE
KEAPWEYQKRPPPAWPHEGVIIFDNVNFMYSPGGPLVLKHLTALIKSQEK
VGIVGRTGAGKSSLISALFRLSEPEGKIWIDKILTTEIGLHDLRKKMSII
PQEPVLFTGTMRKNLDPFNEHTDEELWNALQEVQLKETIEDLPGKMDTEL
AESGSNFSVGQRQLVCLARAILRKNQILIIDEATANVDPRTDELIQKKIR
EKFAHCTVLTIAHRLNTIIDSDKIMVLDSGRLKEYDEPYVLLQNKESLFY
KMVQQLGKAEAAALTETAKQVYFKRNYPH
Ligand information
Ligand IDSUZ
InChIInChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-/t25-/m1/s1
InChIKeyMLKXDPUZXIRXEP-LQVWSKNFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)[S@](=O)C)F)CC(=O)O
CACTVS 3.370CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c3ccc(cc3)[S@@](C)=O
CACTVS 3.370CC1=C(CC(O)=O)c2cc(F)ccc2C1=Cc3ccc(cc3)[S](C)=O
ACDLabs 12.01O=S(c1ccc(cc1)/C=C3\c2ccc(F)cc2C(=C3C)CC(=O)O)C
OpenEye OEToolkits 1.7.0CC1=C(c2cc(ccc2C1=Cc3ccc(cc3)S(=O)C)F)CC(=O)O
FormulaC20 H17 F O3 S
Name[(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid;
SULINDAC
ChEMBLCHEMBL4525719
DrugBank
ZINCZINC000004475353
PDB chain8iz7 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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PDB8iz7 cryo-EM structure of sulindac-bound hMRP4
Resolution3.8 Å
Binding residue
(original residue number in PDB)		G991 R998
Binding residue
(residue number reindexed from 1)		G921 R928
Annotation score1
Enzymatic activity
Enzyme Commision number 7.6.2.-
7.6.2.2: ABC-type xenobiotic transporter.
7.6.2.3: ABC-type glutathione-S-conjugate transporter.
Gene Ontology
Molecular Function
GO:0001409 guanine nucleotide transmembrane transporter activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008559 ABC-type xenobiotic transporter activity
GO:0015132 prostaglandin transmembrane transporter activity
GO:0015143 urate transmembrane transporter activity
GO:0015216 purine nucleotide transmembrane transporter activity
GO:0015431 ABC-type glutathione S-conjugate transporter activity
GO:0015432 ABC-type bile acid transporter activity
GO:0015562 efflux transmembrane transporter activity
GO:0016404 15-hydroxyprostaglandin dehydrogenase (NAD+) activity
GO:0016887 ATP hydrolysis activity
GO:0034634 glutathione transmembrane transporter activity
GO:0042626 ATPase-coupled transmembrane transporter activity
GO:0042910 xenobiotic transmembrane transporter activity
GO:0043225 ATPase-coupled inorganic anion transmembrane transporter activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0002576 platelet degranulation
GO:0006805 xenobiotic metabolic process
GO:0006855 xenobiotic transmembrane transport
GO:0006869 lipid transport
GO:0015721 bile acid and bile salt transport
GO:0015732 prostaglandin transport
GO:0015747 urate transport
GO:0032310 prostaglandin secretion
GO:0034775 glutathione transmembrane transport
GO:0055085 transmembrane transport
GO:0060271 cilium assembly
GO:0070730 cAMP transport
GO:0071716 leukotriene transport
GO:0098656 monoatomic anion transmembrane transport
GO:0140115 export across plasma membrane
GO:0150104 transport across blood-brain barrier
GO:1903790 guanine nucleotide transmembrane transport
Cellular Component
GO:0005730 nucleolus
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016323 basolateral plasma membrane
GO:0016324 apical plasma membrane
GO:0031088 platelet dense granule membrane
GO:0098591 external side of apical plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8iz7, PDBe:8iz7, PDBj:8iz7
PDBsum8iz7
PubMed
UniProtO15439|MRP4_HUMAN ATP-binding cassette sub-family C member 4 (Gene Name=ABCC4)

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