4PL5
Crystal structure of murine IRE1 in complex with OICR573 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, C, D (B, A, C, D) | Serine/threonine-protein kinase/endoribonuclease IRE1 | polymer | 435 | 50331.4 | 4 | UniProt (Q9EQY0) Pfam (PF00069) Pfam (PF06479) | Mus musculus (Mouse) | Endoplasmic reticulum-to-nucleus signaling 1,Inositol-requiring protein 1,Ire1-alpha,IRE1a |
| 2 | E, H, K, M (B, A, C, D) | ADENOSINE-5'-DIPHOSPHATE | non-polymer | 427.2 | 4 | Chemie (ADP) | |||
| 3 | F, I, L, N (B, A, C, D) | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 4 | G (A) | 3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol | non-polymer | 299.4 | 1 | Chemie (31L) | |||
| 5 | J (A) | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL | non-polymer | 1221.5 | 1 | Chemie (PEU) |
Sequence modifications
B, A, C, D: 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 | 4 |
| Total formula weight | 201325.5 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 3326.8 | |
| All* | Total formula weight | 204652.4 |
