4XIQ
Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | binding site for residue 40Y A 301 |
| Chain | Residue |
| A | ASN51 |
| A | HOH451 |
| A | HOH459 |
| A | HOH462 |
| A | ALA55 |
| A | ASP93 |
| A | LEU107 |
| A | GLY135 |
| A | TYR139 |
| A | TRP162 |
| A | THR184 |
| A | GOL303 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 302 |
| Chain | Residue |
| A | ASP57 |
| A | LYS58 |
| A | LYS58 |
| A | TYR61 |
| A | GOL303 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 303 |
| Chain | Residue |
| A | LYS58 |
| A | TYR61 |
| A | LEU107 |
| A | 40Y301 |
| A | GOL302 |
Functional Information from PROSITE/UniProt
| site_id | PS00298 |
| Number of Residues | 10 |
| Details | HSP90 Heat shock hsp90 proteins family signature. YsNKEIFLRE |
| Chain | Residue | Details |
| A | TYR38-GLU47 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | GLU16 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0000269|PubMed:2492519, ECO:0007744|PubMed:17081983, ECO:0007744|PubMed:18318008, ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| A | THR109 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:18088087, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | MET130 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0000269|PubMed:2492519, ECO:0007744|PubMed:16807684, ECO:0007744|PubMed:17081983, ECO:0007744|PubMed:18088087, ECO:0007744|PubMed:18318008, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:18691976, ECO:0007744|PubMed:19367720, ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | ALA141 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphotyrosine => ECO:0000250|UniProtKB:P07901 |
| Chain | Residue | Details |
| A | LYS191 |
