5TM8
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 7-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)heptanoic acid
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 18 |
| Details | binding site for residue 7K6 A 601 |
| Chain | Residue |
| A | LEU346 |
| A | ILE424 |
| A | GLY521 |
| A | HIS524 |
| A | LEU525 |
| A | LYS529 |
| A | LEU536 |
| A | LEU540 |
| A | LEU541 |
| A | HOH753 |
| A | THR347 |
| A | GLU353 |
| A | LEU387 |
| A | MET388 |
| A | ARG394 |
| A | PHE404 |
| A | GLU419 |
| A | MET421 |
| site_id | AC2 |
| Number of Residues | 18 |
| Details | binding site for residue 7K6 B 601 |
| Chain | Residue |
| B | THR347 |
| B | ALA350 |
| B | GLU353 |
| B | LEU387 |
| B | MET388 |
| B | ARG394 |
| B | PHE404 |
| B | GLU419 |
| B | GLY420 |
| B | MET421 |
| B | ILE424 |
| B | GLY521 |
| B | HIS524 |
| B | LEU525 |
| B | LEU536 |
| B | LEU540 |
| B | LEU544 |
| B | HOH727 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 130 |
| Details | DNA_BIND: Nuclear receptor => ECO:0000255|PROSITE-ProRule:PRU00407 |
| Chain | Residue | Details |
| A | ILE358-GLU423 | |
| B | ILE358-GLU423 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 88 |
| Details | ZN_FING: NR C4-type => ECO:0000255|PROSITE-ProRule:PRU00407 |
| Chain | Residue | Details |
| A | ILE358-LEU378 | |
| A | ARG394-VAL418 | |
| B | ILE358-LEU378 | |
| B | ARG394-VAL418 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:9338790, ECO:0000269|PubMed:9600906, ECO:0007744|PDB:1A52, ECO:0007744|PDB:1ERE |
| Chain | Residue | Details |
| A | TYR526 | |
| B | TYR526 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine; by CK2 => ECO:0000269|PubMed:7838153 |
| Chain | Residue | Details |
| A | ALA340 | |
| B | ALA340 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | MOD_RES: Asymmetric dimethylarginine; by PRMT1 => ECO:0000269|PubMed:18657504, ECO:0000269|PubMed:24498420 |
| Chain | Residue | Details |
| A | SER433 | |
| B | SER433 |
