5K5N
Crystal structure of GSK-3beta complexed with PF-04802367, a highly selective brain-penetrant kinase 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 | Glycogen synthase kinase-3 beta | polymer | 370 | 42127.2 | 2 | UniProt (P49841) Pfam (PF00069) In PDB | Homo sapiens (Human) | GSK-3 beta,Serine/threonine-protein kinase GSK3B |
2 | A, B | 5-(3-chloranyl-4-methoxy-phenyl)-~{N}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide | non-polymer | 361.8 | 2 | Chemie (6QH) | |||
3 | A, B | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
4 | water | water | 18.0 | 149 | Chemie (HOH) |
Sequence modifications
A, B: 28 - 384 (UniProt: P49841)
PDB | External Database | Details |
---|---|---|
His 15 | - | expression tag |
His 16 | - | expression tag |
His 17 | - | expression tag |
His 18 | - | expression tag |
His 19 | - | expression tag |
His 20 | - | expression tag |
Ser 21 | - | expression tag |
Ser 22 | - | expression tag |
Gly 23 | - | expression tag |
Leu 24 | - | expression tag |
Val 25 | - | expression tag |
Pro 26 | - | expression tag |
Arg 27 | - | expression tag |
Gly 28 | Val 28 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 84254.4 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 915.7 | |
All* | Total formula weight | 85170.0 |