Structure of PDB 5aau Chain B

Receptor sequence
>5aauB (length=222) Species: 9606 (Homo sapiens) [Search protein sequence]
LTADQMVSALLDAEPPILYSEYPFSEASMMGLLTNLADRELVHMINWAKR
VPGFVDLTLHDQVHLLESAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRN
QGKSVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLS
EKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNK
GMEHLYSMVVPSYDLLLEMLDA
3D structure
PDB5aau Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
ChainB
Resolution1.9 Å
3D
structure
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Enzymatic activity
Enzyme Commision number ?
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 XBR B L346 T347 L349 L387 R394 F404 I424 G521 H524 L525 V533 L33 T34 L36 L74 R81 F91 I111 G201 H204 L205 V209 MOAD: ic50=13.8uM
BindingDB: IC50=3715nM
External links
PDB RCSB:5aau, PDBe:5aau, PDBj:5aau
PDBsum5aau
PubMed26407012
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

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