6AOL
Structure of molecular chaperone Grp94 bound to selective inhibitor methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 20 |
| Details | binding site for residue VC1 A 401 |
| Chain | Residue |
| A | LEU104 |
| A | LEU163 |
| A | THR165 |
| A | ILE166 |
| A | GLY196 |
| A | VAL197 |
| A | PHE199 |
| A | TYR200 |
| A | THR245 |
| A | ILE247 |
| A | HOH501 |
| A | ASN107 |
| A | HOH503 |
| A | ASP110 |
| A | ALA111 |
| A | LYS114 |
| A | ASP149 |
| A | VAL152 |
| A | MET154 |
| A | ASN162 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue P33 A 402 |
| Chain | Residue |
| A | LYS75 |
| A | LYS208 |
| A | GLU224 |
| A | ASP226 |
| A | GLU229 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue P33 A 403 |
| Chain | Residue |
| A | ASN83 |
| A | LYS87 |
| A | ILE90 |
| A | SER227 |
| A | ASN228 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue P33 A 404 |
| Chain | Residue |
| A | THR212 |
| A | ARG237 |
| site_id | AC5 |
| Number of Residues | 1 |
| Details | binding site for residue P33 A 405 |
| Chain | Residue |
| A | LYS114 |
Functional Information from PROSITE/UniProt
| site_id | PS00298 |
| Number of Residues | 10 |
| Details | HSP90 Heat shock hsp90 proteins family signature. YkNKEIFLRE |
| Chain | Residue | Details |
| A | TYR94-GLU103 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15292259, ECO:0000269|PubMed:15951571, ECO:0000269|PubMed:17936703, ECO:0007744|PDB:1TC0, ECO:0007744|PDB:1TC6, ECO:0007744|PDB:1YT0, ECO:0007744|PDB:2O1U, ECO:0007744|PDB:2O1V |
| Chain | Residue | Details |
| A | ASN107 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15292259, ECO:0000269|PubMed:15951571, ECO:0000269|PubMed:17936703, ECO:0007744|PDB:1TBW, ECO:0007744|PDB:1TC0, ECO:0007744|PDB:1TC6, ECO:0007744|PDB:1YT0, ECO:0007744|PDB:2O1U, ECO:0007744|PDB:2O1V |
| Chain | Residue | Details |
| A | PHE199 | |
| A | ASP149 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15292259, ECO:0000269|PubMed:15951571, ECO:0000269|PubMed:17936703, ECO:0007744|PDB:1TBW, ECO:0007744|PDB:1TC0, ECO:0007744|PDB:1TC6, ECO:0007744|PDB:2O1U, ECO:0007744|PDB:2O1V |
| Chain | Residue | Details |
| A | ASN162 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | MOD_RES: N6-(2-hydroxyisobutyryl)lysine => ECO:0000250|UniProtKB:P14625 |
| Chain | Residue | Details |
| A | LYS168 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:Q66HD0 |
| Chain | Residue | Details |
| A | SER172 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255 |
| Chain | Residue | Details |
| A | ASN217 | |
| A | ASN107 |
