4BHN
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 | 334 | 37518.5 | 2 | UniProt (Q99683) Pfam (PF00069) | HOMO SAPIENS (HUMAN) | ASK1, APOPTOSIS SIGNAL-REGULATING KINASE 1, ASK-1, MAPK/ERK KINASE KINASE 5, MEK KINASE 5, MEKK 5 |
| 2 | C, E (A, B) | 4-tert-butyl-N-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]benzamide | non-polymer | 359.4 | 2 | Chemie (BH9) | |||
| 3 | D, F (A, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 216 | Chemie (HOH) |
Sequence modifications
A, B: 660 - 977 (UniProt: Q99683)
| PDB | External Database | Details |
|---|---|---|
| Met 644 | - | expression tag |
| Asp 645 | - | expression tag |
| Tyr 646 | - | expression tag |
| Lys 647 | - | expression tag |
| Asp 648 | - | expression tag |
| Asp 649 | - | expression tag |
| Asp 650 | - | expression tag |
| Asp 651 | - | expression tag |
| Lys 652 | - | expression tag |
| Glu 653 | - | expression tag |
| Asn 654 | - | expression tag |
| Leu 655 | - | expression tag |
| Tyr 656 | - | expression tag |
| Phe 657 | - | expression tag |
| Gln 658 | - | expression tag |
| Gly 659 | - | expression tag |
| Glu 838 | Thr 838 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 75036.9 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 903.0 | |
| All* | Total formula weight | 75939.9 |
