MolNFT v1 · #146378 · protein

Crystal structure of estrogen receptor alpha in complex with receptor degrader 16AA

6DFN: “Crystal structure of estrogen receptor alpha in complex with receptor degrader 16AA”. X-ray diffraction, 3 ligands (G9J, G91, NI). MolNFT v1 #146378 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6DFN
Type: protein
Length: 901 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P03372
Ligands: G9J, G91, NI

Structure

x-ray diffraction · 4 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	234	—	P03372
B	—	protein	218	—	P03372
C	—	protein	228	—	P03372
D	—	protein	221	—	P03372

Ligands and binding sites

G9J · (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol · ligand · 4 copies · chains A, B, C, D
G91 · (8S)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol · ligand · 2 copies · chains B, D
NI · Nickel (II) ion · metal · chains A, B
GOL · Glycerol · additive · 3 copies · chains B, A, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

6DFN · Crystal structure of estrogen receptor alpha in complex with receptor degrader 16aa · the same entry in another collection · chain D against D, TM-score 1.00
P03372 · AlphaFold monomer V2.0 prediction for estrogen receptor (P03372) · a predicted model of the same protein · chain B against A, TM-score 0.95

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P03372
Elsewhere: RCSB PDB 6DFN · PDBe 6DFN · UniProt P03372

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