5T8E
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue GOL A 1001 |
| Chain | Residue |
| A | PHE697 |
| A | LYS777 |
| A | ARG779 |
| A | HOH1123 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 1002 |
| Chain | Residue |
| A | ILE680 |
| A | PRO682 |
| A | HIS714 |
| A | SER908 |
| A | LYS910 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue 77U A 1003 |
| Chain | Residue |
| A | LEU704 |
| A | ASN705 |
| A | LEU707 |
| A | GLN711 |
| A | ARG752 |
| A | LEU873 |
| A | THR877 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 5 |
| Details | MOD_RES: Phosphotyrosine; by CSK => ECO:0000269|PubMed:17045208 |
| Chain | Residue | Details |
| A | ASN756 | |
| A | ARG840 | |
| A | ASP879 | |
| A | ASP890 | |
| A | MET895 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| A | HIS789 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphotyrosine; by CSK and TNK2 => ECO:0000269|PubMed:17045208, ECO:0000269|PubMed:17494760, ECO:0000269|PubMed:20623637 |
| Chain | Residue | Details |
| A | THR800 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphotyrosine; by CSK and TNK2 => ECO:0000269|PubMed:17045208, ECO:0000269|PubMed:17494760 |
| Chain | Residue | Details |
| A | ALA896 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO) => ECO:0000269|PubMed:11121022 |
| Chain | Residue | Details |
| A | GLN919 |
