Structure of PDB 8sxb Chain A Binding Site BS01

Receptor Information
>8sxb Chain A (length=1152) Species: 9915 (Bos indicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVLPEDRSQHLGEELQGYWDQEVLRAEKDAREPSLTKAIIKCYWKSYVVL
GIFTLIEESTRVVQPIILGKIIGYFENYDPSDSAALYEAHGYAGVLSACT
LVLAILHHLYFYHVQCAGMRLRVAMCHMIYRKALRLSNSAMGKTTTGQIV
NLLSNDVNKFDQVTIFLHFLWAGPLQAIVVTALLWMEIGISCLAGMAVLI
ILLPLQSCIGKLFSSLRSKTAAFTDTRIRTMNEVITGIRIIKMYAWEKSF
ADLITNLRRKEISKILRSSYLRGMNLASFFVASKIIVFVTFTTYVFLGNV
ITASRVFVAVSLYGAVRLTVTLFFPSAVEKVSEAFVSIRRIKNFLLLDEI
VNVQDFTAFWDKASDTPTLQSLSFTVRPGELLAVVGPVGAGKSSLLSAVL
GELPPNQGQVSVHGRIAYVSQQPWVFSGTVRSNILFGKKYEKERYEKVIK
ACALKKDLQLLEDGDLTMIGDRGTTLSGGQKARVNLARAVYQDADIYLLD
DPLSAVDAEVSRHLFELCICQALHEKIRILVTHQLQYLKAASQILILKDG
QMVQKGEGKVGFKAYKNYFTAGAHWFIIIFLILVNLAAQVSYILQDWWLS
YWANQQSALTEKLDLNWYLGIYSGLTASTVLFGIVRSLLVFFVLVSSSQT
LHNQMFESILRAPVLFFDRNPIGRILNRFSKDIGHMDDLLPLTYLDFIQT
FLQVIGVVGVAVAVIPWIAIPLVPLGIVFFVLRRYFLETSRDVKRLESTT
RSPVFSHLSSSLQGLWTIRAYKAEQRFQELFDSHQDLHSEAWFLFLTTSR
WFAVRLDAICAVFVIVVAFGSLILAKTLDAGQVGLALSYALTLMGMFQWC
VRQSAEVENMMISVERVIEYTDLEKEAPWEYQKRPLPSWPHEGVIIFDNV
NFSYSLDGPLVLKHLTALIKSKEKVGIVGRTGAGKSSLIAALFRLSEPEG
KIWIDKILTTEIGLHDLRKKMSIIPQEPVLFTGTMRKNLDPFNEHSDEEL
WNALEEVQLKEAIEDLPGKMDTELAESGSNFSVGQRQLVCLARAILRKNR
ILIIDEATANVDPRTDELIQKKIREKFAHCTVLTIAHRLNTIIDSDKIMV
LDSGRLKEYDEPYVLLQNRDSLFYKMVQQLGKAEAAALTETAKQVYFKRN
YP
Ligand information
Ligand IDP2E
InChIInChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
InChIKeyXEYBRNLFEZDVAW-ARSRFYASSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O
CACTVS 3.341CCCCC[CH](O)C=C[CH]1[CH](O)CC(=O)[CH]1CC=CCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCC[C@@H](\C=C\[C@H]1[C@@H](CC(=O)[C@@H]1C\C=C/CCCC(=O)O)O)O
CACTVS 3.341CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
ACDLabs 10.04O=C1CC(O)C(/C=C/C(O)CCCCC)C1C\C=C/CCCC(=O)O
FormulaC20 H32 O5
Name(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid;
Prostaglandin E2
ChEMBLCHEMBL548
DrugBankDB00917
ZINCZINC000003830713
PDB chain8sxb Chain A Residue 2701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8sxb Structural basis of prostaglandin efflux by MRP4.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D2162 T2166 R2266 W2315 R2318
Binding residue
(residue number reindexed from 1)		D696 T700 R800 W849 R852
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8sxb, PDBe:8sxb, PDBj:8sxb
PDBsum8sxb
PubMed38216659
UniProtA0A6P5CNW8

[Back to BioLiP]