Structure of PDB 8j3w Chain A Binding Site BS01

Receptor Information
>8j3w Chain A (length=1218) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPNPLQDANLCSRVFFWWLNPLFKIGHKRRLEEDDMYSVLPEDRSQHLGE
ELQGFWDKEVLRAENDAQKPSLTRAIIKCYWKSYLVLGIFTLIEESAKVI
QPIFLGKIINYFENYDPMDSVALNTAYAYATVLTFCTLILAILHHLYFYH
VQCAGMRLRVAMCHMIYRKALRLSNMAMGKTTTGQIVNLLSNDVNKFDQV
TVFLHFLWAGPLQAIAVTALLWMEIGISCLAGMAVLIILLPLQSCFGKLF
SSLRSKTATFTDARIRTMNEVITGIRIIKMYAWEKSFSNLITNLRKKEIS
KILRSSCLRGMNLASFFSASKIIVFVTFTTYVLLGSVITASRVFVAVTLY
GAVRLTVTLFFPSAIERVSEAIVSIRRIQTFLLLDEISQRNRQLPSDGKK
MVHVQDFTAFWDKASETPTLQGLSFTVRPGELLAVVGPVGAGKSSLLSAV
LGELAPSHGLVSVHGRIAYVSQQPWVFSGTLRSNILFGKKYEKERYEKVI
KACALKKDLQLLEDGDLTVIGDRGTTLSGGQKARVNLARAVYQDADIYLL
DDPLSAVDAEVSRHLFELCICQILHEKITILVTHQLQYLKAASQILILKD
GKMVQKGTYTEFLKSGIDFGSLLKKGFQAYKNYFRAGAHWIVFIFLILLN
TAAQVAYVLQDWWLSYWANKQSMLNTEKLDLNWYLGIYSGLTVATVLFGI
ARSLLVFYVLVNSSQTLHNKMFESILKAPVLFFDRNPIGRILNRFSKDIG
HLDDLLPLTFLDFIQTLLQVVGVVSVAVAVIPWIAIPLVPLGIIFIFLRR
YFLETSRDVKRLESTTRSPVFSHLSSSLQGLWTIRAYKAEERCQELFDAH
QDLHSEAWFLFLTTSRWFAVRLDAICAMFVIIVAFGSLILAKTLDAGQVG
LALSYALTLMGMFQWCVRQSAEVENMMISVERVIEYTDLEKEAPWEYQKR
PPPAWPHEGVIIFDNVNFMYSPGGPLVLKHLTALIKSQEKVGIVGRTGAG
KSSLISALFRLSEPEGKIWIDKILTTEIGLHDLRKKMSIIPQEPVLFTGT
MRKNLDPFNEHTDEELWNALQEVQLKETIEDLPGKMDTELAESGSNFSVG
QRQLVCLARAILRKNQILIIDEATANVDPRTDELIQKKIREKFAHCTVLT
IAHRLNTIIDSDKIMVLDSGRLKEYDEPYVLLQNKESLFYKMVQQLGKAE
AAALTETAKQVYFKRNYP
Ligand information
Ligand IDAIN
InChIInChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
InChIKeyBSYNRYMUTXBXSQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)Oc1ccccc1C(=O)O
ACDLabs 10.04O=C(Oc1ccccc1C(=O)O)C
CACTVS 3.341CC(=O)Oc1ccccc1C(O)=O
FormulaC9 H8 O4
Name2-(ACETYLOXY)BENZOIC ACID;
ACETYLSALICYLIC ACID;
ASPIRIN
ChEMBLCHEMBL25
DrugBankDB00945
ZINCZINC000000000053
PDB chain8j3w 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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PDB8j3w Cryo-EM structure ofABCC4
Resolution3.07 Å
Binding residue
(original residue number in PDB)		F324 L363 L367 W995
Binding residue
(residue number reindexed from 1)		F316 L355 L359 W915
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
View graph for
Cellular Component
External links
PDB RCSB:8j3w, PDBe:8j3w, PDBj:8j3w
PDBsum8j3w
PubMed
UniProtO15439|MRP4_HUMAN ATP-binding cassette sub-family C member 4 (Gene Name=ABCC4)

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