5AAV
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 | 7 |
| Details | BINDING SITE FOR RESIDUE GW5 A 1552 |
| Chain | Residue |
| A | LEU346 |
| A | THR347 |
| A | ALA350 |
| A | GLU353 |
| A | LEU428 |
| A | GLY521 |
| A | PRO535 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GW5 B 1546 |
| Chain | Residue |
| B | THR347 |
| B | ALA350 |
| B | GLU353 |
| B | LEU428 |
| B | GLY521 |
| B | MET343 |
| B | LEU346 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"9338790","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9600906","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1A52","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ERE","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphotyrosine; by Tyr-kinases","evidences":[{"source":"PubMed","id":"7539106","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Lipidation: {"description":"S-palmitoyl cysteine","evidences":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
