6ASQ
Structure of Grp94 bound to methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate, a pan-Hsp90 inhibitor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005524 | molecular_function | ATP binding |
| A | 0006457 | biological_process | protein folding |
| A | 0016887 | molecular_function | ATP hydrolysis activity |
| A | 0051082 | molecular_function | unfolded protein binding |
| A | 0140662 | molecular_function | ATP-dependent protein folding chaperone |
| B | 0005524 | molecular_function | ATP binding |
| B | 0006457 | biological_process | protein folding |
| B | 0016887 | molecular_function | ATP hydrolysis activity |
| B | 0051082 | molecular_function | unfolded protein binding |
| B | 0140662 | molecular_function | ATP-dependent protein folding chaperone |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 9 |
| Details | binding site for residue PE8 A 401 |
| Chain | Residue |
| A | ASN83 |
| A | LYS87 |
| A | ILE90 |
| A | SER227 |
| A | ASN228 |
| B | ASN83 |
| B | LYS87 |
| B | SER227 |
| B | ASN228 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | binding site for residue PE8 A 402 |
| Chain | Residue |
| A | LEU117 |
| A | THR121 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | binding site for residue PE8 A 403 |
| Chain | Residue |
| A | LYS137 |
| A | TRP333 |
| A | PE8404 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue PE8 A 404 |
| Chain | Residue |
| A | THR212 |
| A | ARG237 |
| A | THR240 |
| A | THR248 |
| A | PE8403 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue PE8 A 405 |
| Chain | Residue |
| A | ASN129 |
| A | LYS135 |
| A | THR148 |
| A | THR150 |
| A | LEU241 |
| A | HOH502 |
| A | HOH512 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | binding site for residue PE8 A 406 |
| Chain | Residue |
| A | GLU131 |
| A | TRP333 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue PEG A 407 |
| Chain | Residue |
| A | LYS214 |
| A | ASN217 |
| A | ASP218 |
| B | ASP262 |
| B | ASN266 |
| B | PE8406 |
| site_id | AC8 |
| Number of Residues | 1 |
| Details | binding site for residue PEG A 408 |
| Chain | Residue |
| A | ASN239 |
| site_id | AC9 |
| Number of Residues | 1 |
| Details | binding site for residue PE8 A 409 |
| Chain | Residue |
| A | ASN276 |
| site_id | AD1 |
| Number of Residues | 3 |
| Details | binding site for residue GOL A 410 |
| Chain | Residue |
| A | ASP110 |
| A | ASP113 |
| A | LYS114 |
| site_id | AD2 |
| Number of Residues | 6 |
| Details | binding site for residue GOL A 411 |
| Chain | Residue |
| A | ASP257 |
| A | ASP262 |
| A | THR263 |
| B | ASP218 |
| B | THR219 |
| B | HIS221 |
| site_id | AD3 |
| Number of Residues | 15 |
| Details | binding site for residue VC4 A 412 |
| Chain | Residue |
| A | LEU104 |
| A | ASN107 |
| A | ASP110 |
| A | ALA111 |
| A | LYS114 |
| A | ASP149 |
| A | VAL152 |
| A | GLY153 |
| A | MET154 |
| A | ASN162 |
| A | PHE199 |
| A | THR245 |
| A | ILE247 |
| A | HOH501 |
| A | HOH513 |
| site_id | AD4 |
| Number of Residues | 5 |
| Details | binding site for residue PE8 B 401 |
| Chain | Residue |
| B | LYS137 |
| B | HIS146 |
| B | THR148 |
| B | THR246 |
| B | PEG407 |
| site_id | AD5 |
| Number of Residues | 3 |
| Details | binding site for residue PE8 B 402 |
| Chain | Residue |
| B | LEU335 |
| B | ASN337 |
| B | PE8405 |
| site_id | AD6 |
| Number of Residues | 8 |
| Details | binding site for residue PE8 B 404 |
| Chain | Residue |
| B | GLU131 |
| B | LYS135 |
| B | THR148 |
| B | ASP149 |
| B | THR150 |
| B | LEU241 |
| B | ARG243 |
| B | GLY244 |
| site_id | AD7 |
| Number of Residues | 3 |
| Details | binding site for residue PE8 B 405 |
| Chain | Residue |
| B | ASN276 |
| B | ASN337 |
| B | PE8402 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue PE8 B 406 |
| Chain | Residue |
| A | ASP218 |
| A | PEG407 |
| B | GLU98 |
| B | ASP257 |
| site_id | AD9 |
| Number of Residues | 3 |
| Details | binding site for residue PEG B 407 |
| Chain | Residue |
| B | TRP282 |
| B | TRP331 |
| B | PE8401 |
| site_id | AE1 |
| Number of Residues | 2 |
| Details | binding site for residue GOL B 408 |
| Chain | Residue |
| B | ASP110 |
| B | LYS114 |
| site_id | AE2 |
| Number of Residues | 3 |
| Details | binding site for residue GOL B 409 |
| Chain | Residue |
| B | LYS135 |
| B | TYR280 |
| B | TRP333 |
| site_id | AE3 |
| Number of Residues | 15 |
| Details | binding site for residue VC4 B 410 |
| Chain | Residue |
| B | MET154 |
| B | ASN162 |
| B | PHE199 |
| B | THR245 |
| B | ILE247 |
| B | HOH501 |
| B | HOH510 |
| B | LEU104 |
| B | ASN107 |
| B | ASP110 |
| B | ALA111 |
| B | LYS114 |
| B | ASP149 |
| B | VAL152 |
| B | GLY153 |
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 | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"15292259","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15951571","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17936703","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1TC0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TC6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1YT0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O1U","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O1V","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"15292259","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15951571","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17936703","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1TBW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TC0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TC6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1YT0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O1U","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O1V","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"15292259","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15951571","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17936703","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1TBW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TC0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TC6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O1U","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O1V","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N6-(2-hydroxyisobutyryl)lysine","evidences":[{"source":"UniProtKB","id":"P14625","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"Q66HD0","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
