4D09
PDE2a catalytic domain in complex with a brain penetrant 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, C, D | CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE | polymer | 353 | 41432.4 | 4 | UniProt (O00408) Pfam (PF00233) In PDB | HOMO SAPIENS (HUMAN) | CYCLIC GMP-STIMULATED PHOSPHODIESTERASE, CGS-PDE, CGSPDE, PDE2A |
2 | A, B, C, D | N-benzyl-4-methyl-1-phenyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | non-polymer | 393.4 | 4 | Chemie (788) | |||
3 | A, B, C, D | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
4 | A, B, C, D | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
5 | water | water | 18.0 | 265 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 578 - 921 (UniProt: O00408)
PDB | External Database | Details |
---|---|---|
Met 576 | - | expression tag |
Gly 577 | - | expression tag |
Arg 922 | - | expression tag |
His 923 | - | expression tag |
His 924 | - | expression tag |
His 925 | - | expression tag |
His 926 | - | expression tag |
His 927 | - | expression tag |
His 928 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 165729.5 | |
Non-Polymers* | Number of molecules | 12 |
Total formula weight | 1932.6 | |
All* | Total formula weight | 167662.1 |