4D08
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 (A, B, C, D) | CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE | polymer | 353 | 41432.4 | 4 | UniProt (O00408) Pfam (PF00233) | HOMO SAPIENS (HUMAN) | CYCLIC GMP-STIMULATED PHOSPHODIESTERASE, CGS-PDE, CGSPDE, PDE2A |
| 2 | E, H, K, N (A, B, C, D) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | F, I, L, O (A, B, C, D) | 1-(5-butoxypyridin-3-yl)-4-methyl-8-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]quinoxaline | non-polymer | 432.5 | 4 | Chemie (Q2T) | |||
| 4 | G, J, M, P (A, B, C, D) | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 5 | Q, R, S, T (A, B, C, D) | water | water | 18.0 | 630 | 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 | 2088.9 | |
| All* | Total formula weight | 167818.4 |
