5M4P
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004672 | molecular_function | protein kinase activity |
A | 0004740 | molecular_function | pyruvate dehydrogenase (acetyl-transferring) kinase activity |
A | 0005515 | molecular_function | protein binding |
A | 0005524 | molecular_function | ATP binding |
A | 0005654 | cellular_component | nucleoplasm |
A | 0005739 | cellular_component | mitochondrion |
A | 0005759 | cellular_component | mitochondrial matrix |
A | 0005829 | cellular_component | cytosol |
A | 0006006 | biological_process | glucose metabolic process |
A | 0006111 | biological_process | regulation of gluconeogenesis |
A | 0006885 | biological_process | regulation of pH |
A | 0008286 | biological_process | insulin receptor signaling pathway |
A | 0010510 | biological_process | regulation of acetyl-CoA biosynthetic process from pyruvate |
A | 0010565 | biological_process | regulation of cellular ketone metabolic process |
A | 0010906 | biological_process | regulation of glucose metabolic process |
A | 0016301 | molecular_function | kinase activity |
A | 0016310 | biological_process | phosphorylation |
A | 0031670 | biological_process | cellular response to nutrient |
A | 0034614 | biological_process | cellular response to reactive oxygen species |
A | 0042593 | biological_process | glucose homeostasis |
A | 0042803 | molecular_function | protein homodimerization activity |
A | 0045254 | cellular_component | pyruvate dehydrogenase complex |
A | 0050848 | biological_process | regulation of calcium-mediated signaling |
A | 0072332 | biological_process | intrinsic apoptotic signaling pathway by p53 class mediator |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 12 |
Details | binding site for residue 7FE A 401 |
Chain | Residue |
A | LEU244 |
A | THR346 |
A | HOH518 |
A | HOH524 |
A | LYS246 |
A | ASN247 |
A | ARG250 |
A | ALA251 |
A | ASP282 |
A | GLY284 |
A | GLY286 |
A | VAL287 |
site_id | AC2 |
Number of Residues | 8 |
Details | binding site for residue TF3 A 402 |
Chain | Residue |
A | PRO64 |
A | ARG66 |
A | VAL67 |
A | VAL73 |
A | TYR129 |
A | ASN142 |
A | ILE143 |
A | LEU147 |
site_id | AC3 |
Number of Residues | 1 |
Details | binding site for residue CL A 403 |
Chain | Residue |
A | ARG362 |
site_id | AC4 |
Number of Residues | 1 |
Details | binding site for residue CL A 404 |
Chain | Residue |
A | LEU338 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 3 |
Details | BINDING: BINDING => ECO:0000269|PubMed:16401071 |
Chain | Residue | Details |
A | GLU243 | |
A | ASP282 | |
A | GLY317 |
site_id | SWS_FT_FI2 |
Number of Residues | 1 |
Details | BINDING: BINDING => ECO:0000250 |
Chain | Residue | Details |
A | SER301 |
site_id | SWS_FT_FI3 |
Number of Residues | 2 |
Details | MOD_RES: Phosphotyrosine => ECO:0000250|UniProtKB:Q15118 |
Chain | Residue | Details |
A | TYR207 | |
A | TYR208 |
site_id | SWS_FT_FI4 |
Number of Residues | 1 |
Details | MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:Q8BFP9 |
Chain | Residue | Details |
A | LYS368 |