Structure of PDB 1yye Chain A

Receptor sequence

>1yyeA (length=228) Species: 9606 (Homo sapiens) [Search protein sequence]

LSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTKLADKELVHMISW
AKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDLVL
DRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMDS
SRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKG
MEHLLNMKCKNVVPVYDLLLEMLNAHVL

3D structure

PDB

1yye ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity

Chain

Resolution

2.03 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	peptide	A	I310 K314 D489 E493	I48 K52 D217 E221
BS02	196	A	M295 L298 T299 E305 L339 M340 F356 I376 H475 L476	M33 L36 T37 E43 L77 M78 F94 I114 H203 L204	MOAD: ic50=2.7nM PDBbind-CN: -logKd/Ki=8.57,IC50=2.7nM BindingDB: IC50=2.7nM

External links

PDB	RCSB:1yye, PDBe:1yye, PDBj:1yye
PDBsum	1yye
PubMed	15943471
UniProt	Q92731\|ESR2_HUMAN Estrogen receptor beta (Gene Name=ESR2)

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