Structure of PDB 5aav Chain A

Receptor sequence
>5aavA (length=232) Species: 9606 (Homo sapiens) [Search protein sequence]
GSHMALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADR
ELVHMINWAKRVPGFVDLTLHDQVHLLESAWLEILMIGLVWRSMEHPGKL
LFAPNLLLDRNQGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSG
VYTFEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIR
HMSNKGMEHLYSMVVPSYDLLLEMLDAHRLHA
3D structure
PDB5aav 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
Resolution1.95 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 GW5 A L346 T347 A350 W383 G521 L525 L44 T45 A48 W81 G206 L210 MOAD: ic50=3.24nM
BindingDB: EC50=390nM,IC50=>1270nM
External links
PDB RCSB:5aav, PDBe:5aav, PDBj:5aav
PDBsum5aav
PubMed26407012
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

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