6W0Z
Structure of KHK in complex with compound 8 (2-[(1~{S},5~{R})-3-[2-[(2~{S})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004454 | molecular_function | ketohexokinase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006000 | biological_process | fructose metabolic process |
| A | 0006796 | biological_process | phosphate-containing compound metabolic process |
| A | 0009744 | biological_process | response to sucrose |
| A | 0009749 | biological_process | response to glucose |
| A | 0009750 | biological_process | response to fructose |
| A | 0010043 | biological_process | response to zinc ion |
| A | 0016301 | molecular_function | kinase activity |
| A | 0032868 | biological_process | response to insulin |
| A | 0046835 | biological_process | carbohydrate phosphorylation |
| A | 0070062 | cellular_component | extracellular exosome |
| A | 0070873 | biological_process | regulation of glycogen metabolic process |
| B | 0004454 | molecular_function | ketohexokinase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006000 | biological_process | fructose metabolic process |
| B | 0006796 | biological_process | phosphate-containing compound metabolic process |
| B | 0009744 | biological_process | response to sucrose |
| B | 0009749 | biological_process | response to glucose |
| B | 0009750 | biological_process | response to fructose |
| B | 0010043 | biological_process | response to zinc ion |
| B | 0016301 | molecular_function | kinase activity |
| B | 0032868 | biological_process | response to insulin |
| B | 0046835 | biological_process | carbohydrate phosphorylation |
| B | 0070062 | cellular_component | extracellular exosome |
| B | 0070873 | biological_process | regulation of glycogen metabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 16 |
| Details | binding site for residue S6D A 301 |
| Chain | Residue |
| A | ARG108 |
| A | GLY257 |
| A | PHE260 |
| A | CYS282 |
| A | GLY286 |
| A | CYS289 |
| A | HOH409 |
| A | HOH429 |
| A | ALA226 |
| A | GLU227 |
| A | ALA244 |
| A | PRO246 |
| A | THR253 |
| A | LEU254 |
| A | GLY255 |
| A | ALA256 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 A 302 |
| Chain | Residue |
| A | GLN38 |
| A | ARG39 |
| A | ASP75 |
| A | ARG79 |
| A | PHE294 |
| A | HOH414 |
| A | HOH423 |
| site_id | AC3 |
| Number of Residues | 15 |
| Details | binding site for residue S6D B 301 |
| Chain | Residue |
| B | ALA226 |
| B | GLU227 |
| B | ALA244 |
| B | PRO246 |
| B | THR253 |
| B | LEU254 |
| B | GLY255 |
| B | ALA256 |
| B | GLY257 |
| B | PHE260 |
| B | GLY286 |
| B | CYS289 |
| B | HOH443 |
| B | HOH467 |
| B | HOH468 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 302 |
| Chain | Residue |
| A | ARG31 |
| B | HIS113 |
| B | ARG141 |
| B | LYS174 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 303 |
| Chain | Residue |
| B | ARG78 |
| B | ARG79 |
| B | GLY293 |
| B | PHE294 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:19237742, ECO:0007744|PDB:2HW1 |
| Chain | Residue | Details |
| A | ASP15 | |
| B | ASP15 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0007744|PDB:2HW1 |
| Chain | Residue | Details |
| A | GLY41 | |
| A | ASN42 | |
| A | ASN45 | |
| A | ASP258 | |
| B | GLY41 | |
| B | ASN42 | |
| B | ASN45 | |
| B | ASP258 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:19237742, ECO:0007744|PDB:2HW1 |
| Chain | Residue | Details |
| A | ARG108 | |
| A | ALA226 | |
| A | GLY255 | |
| B | ARG108 | |
| B | ALA226 | |
| B | GLY255 |
