6XDB
Crystal structure of IRE1a in complex with G-6904
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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 19 |
| Details | binding site for residue N8S A 1001 |
| Chain | Residue |
| A | LEU577 |
| A | TYR628 |
| A | ILE642 |
| A | CYS645 |
| A | GLU651 |
| A | HIS692 |
| A | LEU695 |
| A | SER710 |
| A | ASP711 |
| A | PHE712 |
| A | HOH1113 |
| A | GLY578 |
| A | HIS579 |
| A | ALA597 |
| A | LYS599 |
| A | GLU612 |
| A | VAL613 |
| A | LEU616 |
| A | ILE626 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue EPE A 1002 |
| Chain | Residue |
| A | HIS680 |
| A | SER681 |
| A | ASN683 |
| A | TYR753 |
| A | THR754 |
| A | SER822 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton acceptor => ECO:0000250|UniProtKB:P32361, ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027 |
| Chain | Residue | Details |
| A | ASN688 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:P32361, ECO:0000255|PROSITE-ProRule:PRU00159 |
| Chain | Residue | Details |
| A | LEU577 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000269|PubMed:21317875, ECO:0000269|PubMed:9637683, ECO:0007744|PDB:3P23 |
| Chain | Residue | Details |
| A | LYS599 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:21317875, ECO:0007744|PDB:3P23 |
| Chain | Residue | Details |
| A | GLU643 | |
| A | LYS690 | |
| A | ASP711 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | SITE: Interacts with hydroxy-aryl-aldehyde inhibitors => ECO:0000250|UniProtKB:Q9EQY0 |
| Chain | Residue | Details |
| A | TYR892 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0000269|PubMed:30118681 |
| Chain | Residue | Details |
| A | SER724 | |
| A | SER729 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphothreonine => ECO:0007744|PubMed:19369195 |
| Chain | Residue | Details |
| A | THR973 |
