4PL3
Crystal structure of murine IRE1 in complex with MKC9989 inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Serine/threonine-protein kinase/endoribonuclease IRE1 | polymer | 435 | 50331.4 | 2 | UniProt (Q9EQY0) Pfam (PF00069) Pfam (PF06479) | Mus musculus (Mouse) | Endoplasmic reticulum-to-nucleus signaling 1,Inositol-requiring protein 1,Ire1-alpha,IRE1a |
| 2 | C, F (A, B) | 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one | non-polymer | 322.4 | 2 | Chemie (31J) | |||
| 3 | D, G (A, B) | ADENOSINE-5'-DIPHOSPHATE | non-polymer | 427.2 | 2 | Chemie (ADP) | |||
| 4 | E, H (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) |
Sequence modifications
A, B: 550 - 977 (UniProt: Q9EQY0)
| PDB | External Database | Details |
|---|---|---|
| Gly 543 | - | expression tag |
| Ala 544 | - | expression tag |
| Met 545 | - | expression tag |
| Asp 546 | - | expression tag |
| Pro 547 | - | expression tag |
| Glu 548 | - | expression tag |
| Phe 549 | - | expression tag |
| Tyr 772 | Asn 772 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 100662.8 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1547.7 | |
| All* | Total formula weight | 102210.5 |
