6N3L
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, B | eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2 | polymer | 330 | 37850.6 | 2 | 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, B | N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide | non-polymer | 468.4 | 2 | Chemie (KAV) | |||
3 | water | water | 18.0 | 48 | Chemie (HOH) |
Sequence modifications
A, B: 577 - 657 (UniProt: Q9P2K8)
A, B: 782 - 1013 (UniProt: Q9P2K8)
PDB | External Database | Details |
---|---|---|
Met 561 | - | initiating methionine |
His 562 | - | expression tag |
His 563 | - | expression tag |
His 564 | - | expression tag |
His 565 | - | expression tag |
His 566 | - | expression tag |
His 567 | - | expression tag |
Glu 568 | - | expression tag |
Asn 569 | - | expression tag |
Leu 570 | - | expression tag |
Tyr 571 | - | expression tag |
Phe 572 | - | expression tag |
Gln 573 | - | expression tag |
Gly 574 | - | expression tag |
Gly 575 | - | expression tag |
Ser 576 | - | expression tag |
PDB | External Database | Details |
---|---|---|
Asn 658 | - | linker |
Ala 807 | Lys 807 | engineered mutation |
Asn 848 | Asp 848 | engineered mutation |
Ala 899 | Thr 899 | engineered mutation |
Ala 904 | Thr 904 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 75701.2 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 936.9 | |
All* | Total formula weight | 76638.1 |