4X7L
Co-crystal Structure of PERK bound to 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3 | polymer | 317 | 36816.4 | 1 | UniProt (Q9NZJ5) Pfam (PF00069) | Homo sapiens (Human) | PRKR-like endoplasmic reticulum kinase,Pancreatic eIF2-alpha kinase,HsPEK |
| 2 | B (A) | 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one | non-polymer | 545.7 | 1 | Chemie (3Z4) | |||
| 3 | C (A) | L(+)-TARTARIC ACID | non-polymer | 150.1 | 1 | Chemie (TLA) | |||
| 4 | D (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | E (A) | water | water | 18.0 | 267 | Chemie (HOH) |
Sequence modifications
A: 575 - 874 (UniProt: Q9NZJ5)
A: 875 - 1094 (UniProt: Q9NZJ5)
| PDB | External Database | Details |
|---|---|---|
| Gly 573 | - | expression tag |
| Ser 574 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Asn 937 | Asp 937 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 36816.4 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 787.8 | |
| All* | Total formula weight | 37604.2 |
