Structure of PDB 5aau Chain A

Receptor sequence
>5aauA (length=229) Species: 9606 (Homo sapiens) [Search protein sequence]
GSHMALSLTADQMVSALLDAEPPILYSEYSMMGLLTNLADRELVHMINWA
KRVPGFVDLTLHDQVHLLESAWLEILMIGLVWRSMEHPGKLLFAPNLLLD
RNQGKSVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTF
EEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSN
KGMEHLYSMVVPSYDLLLEMLDAHRLHAP
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.
ChainA
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 A M343 T347 L349 E353 L387 F404 I424 G521 H524 L525 M32 T36 L38 E42 L76 F93 I113 G202 H205 L206 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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