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 | 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 |