3K5K
Discovery of a 2,4-Diamino-7-aminoalkoxy-quinazoline as a Potent Inhibitor of Histone Lysine Methyltransferase, G9a
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) | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | polymer | 283 | 32604.9 | 2 | UniProt (Q96KQ7) Pfam (PF05033) Pfam (PF00856) | Homo sapiens (human) | Protein G9a, Histone H3-K9 methyltransferase 3, H3-K9-HMTase 3, Euchromatic histone-lysine N-methyltransferase 2, HLA-B-associated transcript 8, Lysine N-methyltransferase 1C |
| 2 | C, D, E, F, L... (A, B) | ZINC ION | non-polymer | 65.4 | 8 | Chemie (ZN) | |||
| 3 | G, P (A, B) | S-ADENOSYL-L-HOMOCYSTEINE | non-polymer | 384.4 | 2 | Chemie (SAH) | |||
| 4 | H, Q (A, B) | 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine | non-polymer | 485.7 | 2 | Chemie (DXQ) | |||
| 5 | I, J, R, S (A, B) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 6 | K, T (A, B) | UNKNOWN ATOM OR ION | non-polymer | 2 | Chemie (UNX) | ||||
| 7 | U, V (A, B) | water | water | 18.0 | 459 | Chemie (HOH) |
Sequence modifications
A, B: 913 - 1193 (UniProt: Q96KQ7)
| PDB | External Database | Details |
|---|---|---|
| Gly 911 | - | expression tag |
| Ser 912 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 65209.8 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 2405.2 | |
| All* | Total formula weight | 67615.1 |
