5AAU
Optimization of a novel binding motif to 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
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE XBR A 1553 |
| Chain | Residue |
| A | LEU346 |
| A | LEU525 |
| A | VAL533 |
| A | THR347 |
| A | ALA350 |
| A | GLU353 |
| A | LEU387 |
| A | PHE404 |
| A | ILE424 |
| A | GLY521 |
| A | HIS524 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE XBR B 1547 |
| Chain | Residue |
| B | LEU346 |
| B | THR347 |
| B | LEU349 |
| B | LEU387 |
| B | ARG394 |
| B | MET421 |
| B | ILE424 |
| B | GLY521 |
| B | HIS524 |
| B | LEU525 |
| B | VAL533 |
Functional Information from SwissProt/UniProt
| Chain | Residue | Details |
| A | GLU353 | |
| A | ARG394 | |
| A | HIS524 | |
| B | GLU353 | |
| B | ARG394 | |
| B | HIS524 | |
| Chain | Residue | Details |
| A | TYR537 | |
| B | TYR537 | |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | LIPID: S-palmitoyl cysteine => ECO:0000250 |
| Chain | Residue | Details |
| A | CYS447 | |
| B | CYS447 | |
