5DKB
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 3-methylphenylamino-substituted ethyl triaryl-ethylene derivative 4,4'-(2-{3-[(3-methylphenyl)amino]phenyl}but-1-ene-1,1-diyl)diphenol
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 18 |
| Details | binding site for residue 5C9 A 601 |
| Chain | Residue |
| A | MET343 |
| A | MET421 |
| A | LEU428 |
| A | GLY521 |
| A | HIS524 |
| A | LEU525 |
| A | MET528 |
| A | LEU540 |
| A | 5C9602 |
| A | HOH723 |
| A | LEU346 |
| A | THR347 |
| A | ALA350 |
| A | GLU353 |
| A | LEU387 |
| A | ARG394 |
| A | PHE404 |
| A | GLY420 |
| site_id | AC2 |
| Number of Residues | 17 |
| Details | binding site for residue 5C9 A 602 |
| Chain | Residue |
| A | MET343 |
| A | LEU346 |
| A | THR347 |
| A | GLU353 |
| A | LEU387 |
| A | ARG394 |
| A | PHE404 |
| A | GLU419 |
| A | MET421 |
| A | LEU428 |
| A | GLY521 |
| A | HIS524 |
| A | LEU525 |
| A | MET528 |
| A | LEU540 |
| A | 5C9601 |
| A | HOH723 |
| site_id | AC3 |
| Number of Residues | 12 |
| Details | binding site for residue 5C9 B 601 |
| Chain | Residue |
| B | LEU346 |
| B | THR347 |
| B | ALA350 |
| B | GLU353 |
| B | LEU387 |
| B | ARG394 |
| B | LEU428 |
| B | GLY521 |
| B | HIS524 |
| B | LEU525 |
| B | MET528 |
| B | LEU540 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| C | SER699 | |
| D | SER699 | |
| A | HIS524 | |
| B | GLU353 | |
| B | ARG394 | |
| B | HIS524 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphotyrosine; by Tyr-kinases => ECO:0000269|PubMed:7539106 |
| Chain | Residue | Details |
| A | SER537 | |
| B | SER537 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | LIPID: S-palmitoyl cysteine => ECO:0000250 |
| Chain | Residue | Details |
| A | CYS447 | |
| B | CYS447 |
