6N3O
Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | eIF-2-alpha kinase GCN2 | polymer | 317 | 36211.8 | 1 | UniProt (Q9P2K8) Pfam (PF00069) In PDB | Homo sapiens (Human) | Eukaryotic translation initiation factor 2-alpha kinase 4,GCN2-like protein,Eukaryotic translation initiation factor 2-alpha kinase 4,GCN2-like protein |
2 | A | N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide | non-polymer | 451.8 | 1 | Chemie (KA7) | |||
3 | water | water | 18.0 | 17 | Chemie (HOH) |
Sequence modifications
A: 577 - 657 (UniProt: Q9P2K8)
A: 658 - 1013 (UniProt: Q9P2K8)
PDB | External Database | Details |
---|---|---|
Gly 574 | - | expression tag |
Gly 575 | - | expression tag |
Ser 576 | - | expression tag |
PDB | External Database | Details |
---|---|---|
Ala 807 | Lys 807 | engineered mutation |
Asn 848 | Asp 848 | engineered mutation |
Glu 899 | Thr 899 | engineered mutation |
Glu 904 | Thr 904 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 36211.8 | |
Non-Polymers* | Number of molecules | 1 |
Total formula weight | 451.8 | |
All* | Total formula weight | 36663.6 |