5M4E
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
Functional Information from GO Data
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 16 |
Details | binding site for residue 7F9 A 301 |
Chain | Residue |
A | LEU48 |
A | VAL186 |
A | SO4302 |
A | HOH2217 |
A | HOH2276 |
A | HOH2278 |
A | HOH2358 |
A | HOH2367 |
A | ASN51 |
A | ALA55 |
A | ASP93 |
A | ILE96 |
A | GLY97 |
A | MET98 |
A | LEU107 |
A | THR184 |
site_id | AC2 |
Number of Residues | 6 |
Details | binding site for residue SO4 A 302 |
Chain | Residue |
A | ASP57 |
A | GLY108 |
A | 7F9301 |
A | HOH2201 |
A | HOH2270 |
A | HOH2314 |
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 |