4DHO
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0001836 | biological_process | release of cytochrome c from mitochondria |
| A | 0005515 | molecular_function | protein binding |
| A | 0005576 | cellular_component | extracellular region |
| A | 0005615 | cellular_component | extracellular space |
| A | 0005634 | cellular_component | nucleus |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006469 | biological_process | negative regulation of protein kinase activity |
| A | 0006611 | biological_process | protein export from nucleus |
| A | 0007165 | biological_process | signal transduction |
| A | 0008104 | biological_process | intracellular protein localization |
| A | 0008426 | molecular_function | protein kinase C inhibitor activity |
| A | 0008630 | biological_process | intrinsic apoptotic signaling pathway in response to DNA damage |
| A | 0010482 | biological_process | regulation of epidermal cell division |
| A | 0019901 | molecular_function | protein kinase binding |
| A | 0022407 | biological_process | regulation of cell-cell adhesion |
| A | 0030307 | biological_process | positive regulation of cell growth |
| A | 0032880 | biological_process | regulation of protein localization |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0045296 | molecular_function | cadherin binding |
| A | 0045606 | biological_process | positive regulation of epidermal cell differentiation |
| A | 0045785 | biological_process | positive regulation of cell adhesion |
| A | 0045824 | biological_process | negative regulation of innate immune response |
| A | 0046827 | biological_process | positive regulation of protein export from nucleus |
| A | 0050815 | molecular_function | phosphoserine residue binding |
| A | 0051219 | molecular_function | phosphoprotein binding |
| A | 0061436 | biological_process | establishment of skin barrier |
| A | 0070062 | cellular_component | extracellular exosome |
| A | 0140311 | molecular_function | protein sequestering activity |
| A | 0141156 | biological_process | cAMP/PKA signal transduction |
| A | 1903077 | biological_process | negative regulation of protein localization to plasma membrane |
| A | 1903829 | biological_process | positive regulation of protein localization |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 301 |
| Chain | Residue |
| A | GLU2 |
| A | GLU2 |
| A | HOH420 |
| A | HOH420 |
| A | HOH528 |
| A | HOH528 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 302 |
| Chain | Residue |
| A | HOH464 |
| A | HOH575 |
| A | HOH585 |
| A | GLU35 |
| A | GLU110 |
| A | GLU188 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG A 303 |
| Chain | Residue |
| A | GLU86 |
| A | GLU89 |
| A | HOH604 |
| A | HOH660 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG A 304 |
| Chain | Residue |
| A | GLU161 |
| A | HOH539 |
| A | HOH541 |
| A | HOH573 |
| site_id | AC5 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL A 305 |
| Chain | Residue |
| A | LYS109 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL A 306 |
| Chain | Residue |
| A | LYS9 |
| A | HOH586 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 307 |
| Chain | Residue |
| A | GLU110 |
| A | MET202 |
| A | TYR213 |
| A | THR217 |
| A | ARG224 |
| A | HOH649 |
| site_id | AC8 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE Y09 A 308 |
| Chain | Residue |
| A | GLY53 |
| A | ARG56 |
| A | ARG60 |
| A | ARG129 |
| A | TYR130 |
| A | ASN175 |
| A | HOH474 |
| A | HOH495 |
| A | HOH589 |
| A | HOH627 |
Functional Information from PROSITE/UniProt
| site_id | PS00796 |
| Number of Residues | 11 |
| Details | 1433_1 14-3-3 proteins signature 1. RNLLSVAYKNV |
| Chain | Residue | Details |
| A | ARG41-VAL51 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Site: {"description":"Interaction with phosphoserine on interacting protein"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"20068231","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
