7TY3
Crystal Structure of SETD2 Bound to an Indole-based Inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Histone-lysine N-methyltransferase SETD2 | polymer | 278 | 31955.5 | 1 | UniProt (Q9BYW2) Pfam (PF17907) Pfam (PF00856) | Homo sapiens (human) | HIF-1,Huntingtin yeast partner B,Huntingtin-interacting protein 1,HIP-1,Huntingtin-interacting protein B,Lysine N-methyltransferase 3A,Protein-lysine N-methyltransferase SETD2,SET domain-containing protein 2,hSET2,p231HBP |
| 2 | B, C, D (A) | ZINC ION | non-polymer | 65.4 | 3 | Chemie (ZN) | |||
| 3 | E (A) | S-ADENOSYLMETHIONINE | non-polymer | 398.4 | 1 | Chemie (SAM) | |||
| 4 | F (A) | N-[(1R,3R)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide | non-polymer | 400.5 | 1 | Chemie (KRF) | |||
| 5 | G (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 6 | H (A) | water | water | 18.0 | 25 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 31955.5 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1057.2 | |
| All* | Total formula weight | 33012.7 |
