4BID
Crystal Structures of Ask1-inhibitor Complexes
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5 | polymer | 318 | 35538.4 | 2 | UniProt (Q99683) Pfam (PF00069) | HOMO SAPIENS (HUMAN) | APOPTOSIS SIGNAL-REGULATING KINASE 1, ASK-1, MAPK/ERK KINASE KINASE 5, MEK KINASE 5, MEKK 5, ASK1 |
| 2 | C, E (A, B) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 3 | D, F (A, B) | 5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine | non-polymer | 396.4 | 2 | Chemie (IE8) | |||
| 4 | G, H, I (A, B) | water | water | 18.0 | 245 | Chemie (HOH) |
Sequence modifications
A, B: 660 - 977 (UniProt: Q99683)
| PDB | External Database | Details |
|---|---|---|
| Glu 838 | Thr 838 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 71076.8 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 911.0 | |
| All* | Total formula weight | 71987.8 |
