5B25
Crystal structure of human PDE1B with inhibitor 3
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) | Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | polymer | 338 | 38574.2 | 4 | UniProt (Q01064) Pfam (PF00233) | Homo sapiens (Human) | Cam-PDE 1B |
| 2 | BA, E, L, T (D, A, B, C) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | CA, F, M, U (D, A, B, C) | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 4 | DA, G, N, V (D, A, B, C) | (11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one | non-polymer | 507.6 | 4 | Chemie (4QJ) | |||
| 5 | EA, FA, GA, H, I... (D, A, B, C) | SULFATE ION | non-polymer | 96.1 | 10 | Chemie (SO4) | |||
| 6 | AA, HA, J, K, Q... (C, D, A, B) | GLYCEROL | non-polymer | 92.1 | 8 | Chemie (GOL) | |||
| 7 | IA, JA, KA, LA (A, B, C, D) | water | water | 18.0 | 911 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 146 - 506 (UniProt: Q01064)
| PDB | External Database | Details |
|---|---|---|
| - | Asp 449 | deletion |
| - | Glu 450 | deletion |
| - | Asp 451 | deletion |
| - | Ser 452 | deletion |
| - | Lys 453 | deletion |
| - | Ser 454 | deletion |
| - | Lys 455 | deletion |
| - | Asn 456 | deletion |
| - | Gln 457 | deletion |
| - | Pro 458 | deletion |
| - | Ser 459 | deletion |
| - | Phe 460 | deletion |
| - | Gln 461 | deletion |
| - | Trp 462 | deletion |
| - | Arg 463 | deletion |
| - | Gln 464 | deletion |
| - | Pro 465 | deletion |
| - | Ser 466 | deletion |
| - | Leu 467 | deletion |
| - | Asp 468 | deletion |
| - | Val 469 | deletion |
| - | Glu 470 | deletion |
| - | Val 471 | deletion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 154296.7 | |
| Non-Polymers* | Number of molecules | 30 |
| Total formula weight | 4086.5 | |
| All* | Total formula weight | 158383.1 |
