6F1N
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Functional Information from GO Data
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 5 |
Details | binding site for residue SO4 A 301 |
Chain | Residue |
A | GLU75 |
A | HIS77 |
A | ASN79 |
A | SER169 |
A | THR219 |
site_id | AC2 |
Number of Residues | 17 |
Details | binding site for residue C8W A 302 |
Chain | Residue |
A | ILE96 |
A | GLY97 |
A | MET98 |
A | ASN106 |
A | LEU107 |
A | GLY108 |
A | THR109 |
A | GLY135 |
A | PHE138 |
A | TYR139 |
A | THR184 |
A | HOH421 |
A | HOH439 |
A | ASN51 |
A | SER52 |
A | ALA55 |
A | ASP93 |
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 |