4X7H
Co-crystal Structure of PERK bound to N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide 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) | N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide | non-polymer | 574.6 | 1 | Chemie (3Z2) | |||
| 3 | C, D (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | E (A) | water | water | 18.0 | 183 | 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 | 766.7 | |
| All* | Total formula weight | 37583.1 |
