6X82
Crystal Structure of TNFalpha with isoquinoline compound 4
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, E... | Tumor necrosis factor | polymer | 158 | 17501.9 | 6 | UniProt (P01375) Pfam (PF00229) In PDB | Homo sapiens (Human) | Cachectin,TNF-alpha,Tumor necrosis factor ligand superfamily member 2,TNF-a |
| 2 | A, D | 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline | non-polymer | 553.7 | 2 | Chemie (UTM) | |||
| 3 | water | water | 18.0 | 232 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F: 1 - 157 (UniProt: P01375)
| PDB | External Database | Details |
|---|---|---|
| Met 0 | - | initiating methionine |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 105011.1 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1107.4 | |
| All* | Total formula weight | 106118.5 |
