5TML
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, (E)-6-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 16 |
| Details | binding site for residue 7E1 A 601 |
| Chain | Residue |
| A | ALA350 |
| A | ILE424 |
| A | GLY521 |
| A | HIS524 |
| A | LEU525 |
| A | MET528 |
| A | LEU540 |
| A | HOH704 |
| A | GLU353 |
| A | LEU387 |
| A | MET388 |
| A | ARG394 |
| A | VAL418 |
| A | GLU419 |
| A | GLY420 |
| A | MET421 |
| site_id | AC2 |
| Number of Residues | 16 |
| Details | binding site for residue 7E1 B 601 |
| Chain | Residue |
| B | MET343 |
| B | LEU346 |
| B | THR347 |
| B | GLU353 |
| B | LEU387 |
| B | MET388 |
| B | ARG394 |
| B | PHE404 |
| B | VAL418 |
| B | MET421 |
| B | ILE424 |
| B | GLY521 |
| B | HIS524 |
| B | MET528 |
| B | LEU540 |
| B | HOH719 |
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 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | Motif: {"description":"LXXLL motif 2"} |
| Chain | Residue | Details |
