4PL3
Crystal structure of murine IRE1 in complex with MKC9989 inhibitor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004521 | molecular_function | RNA endonuclease activity |
| A | 0004540 | molecular_function | RNA nuclease activity |
| A | 0004672 | molecular_function | protein kinase activity |
| A | 0004674 | molecular_function | protein serine/threonine kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0006397 | biological_process | mRNA processing |
| A | 0006468 | biological_process | protein phosphorylation |
| A | 0030968 | biological_process | endoplasmic reticulum unfolded protein response |
| B | 0004521 | molecular_function | RNA endonuclease activity |
| B | 0004540 | molecular_function | RNA nuclease activity |
| B | 0004672 | molecular_function | protein kinase activity |
| B | 0004674 | molecular_function | protein serine/threonine kinase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0006397 | biological_process | mRNA processing |
| B | 0006468 | biological_process | protein phosphorylation |
| B | 0030968 | biological_process | endoplasmic reticulum unfolded protein response |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | binding site for residue 31J A 1001 |
| Chain | Residue |
| A | PHE889 |
| A | TYR892 |
| A | ASN906 |
| A | LYS907 |
| A | HIS910 |
| B | ARG864 |
| B | GLN946 |
| site_id | AC2 |
| Number of Residues | 12 |
| Details | binding site for residue ADP A 1002 |
| Chain | Residue |
| A | GLY580 |
| A | VAL586 |
| A | LYS599 |
| A | ILE642 |
| A | GLU643 |
| A | CYS645 |
| A | HIS692 |
| A | ASN693 |
| A | ASP711 |
| A | MG1003 |
| A | LEU577 |
| A | HIS579 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue MG A 1003 |
| Chain | Residue |
| A | HIS692 |
| A | ASN693 |
| A | ASP711 |
| A | ADP1002 |
| site_id | AC4 |
| Number of Residues | 13 |
| Details | binding site for residue ADP B 1002 |
| Chain | Residue |
| B | LEU577 |
| B | HIS579 |
| B | GLY580 |
| B | VAL586 |
| B | LYS599 |
| B | GLU643 |
| B | CYS645 |
| B | LYS690 |
| B | HIS692 |
| B | ASN693 |
| B | LEU695 |
| B | ASP711 |
| B | MG1003 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue MG B 1003 |
| Chain | Residue |
| B | HIS692 |
| B | ASN693 |
| B | ASP711 |
| B | ADP1002 |
| site_id | AC6 |
| Number of Residues | 15 |
| Details | binding site for Di-peptide 31J B 1001 and LYS B 907 |
| Chain | Residue |
| A | ARG864 |
| B | LEU882 |
| B | ASP885 |
| B | LEU886 |
| B | PHE889 |
| B | TYR892 |
| B | ALA903 |
| B | MET904 |
| B | ASN906 |
| B | LYS908 |
| B | HIS909 |
| B | HIS910 |
| B | TYR911 |
| B | GLU913 |
| B | LEU914 |
Functional Information from PROSITE/UniProt
| site_id | PS00108 |
| Number of Residues | 13 |
| Details | PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IvHrDLKphNILL |
| Chain | Residue | Details |
| A | ILE684-LEU696 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 256 |
| Details | Domain: {"description":"KEN","evidences":[{"source":"PROSITE-ProRule","id":"PRU00725","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Region: {"description":"Interacts with hydroxy-aryl-aldehyde inhibitors","evidences":[{"source":"PubMed","id":"25164867","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor; for protein kinase activity","evidences":[{"source":"UniProtKB","id":"P32361","evidenceCode":"ECO:0000250"},{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 16 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"25164867","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4PL5","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"25164867","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4PL3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PL4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PL5","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 12 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"25164867","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4PL3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PL4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PL5","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | Site: {"description":"Interacts with hydroxy-aryl-aldehyde inhibitors","evidences":[{"source":"PubMed","id":"25164867","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
